2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

C27H31FN6O — CID 146922381

IUPAC2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Cc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C27H31FN6O/c1-16-23(33(14-19-6-7-19)32-26(16)20-8-10-21(28)11-9-20)12-22-13-24(30-15-29-22)34-18(3)25(17(2)31-34)27(4,5)35/h8-11,13,15,19,35H,6-7,12,14H2,1-5H3
InChIKeyADKYXAHSZPVHHR-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.82
Rot. Bonds7

About 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (PubChem CID 146922381) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
PubChem CID146922381
Molecular FormulaC27H31FN6O
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC Name2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
SMILESCc1nn(-c2cc(Cc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O
InChIInChI=1S/C27H31FN6O/c1-16-23(33(14-19-6-7-19)32-26(16)20-8-10-21(28)11-9-20)12-22-13-24(30-15-29-22)34-18(3)25(17(2)31-34)27(4,5)35/h8-11,13,15,19,35H,6-7,12,14H2,1-5H3
InChIKeyADKYXAHSZPVHHR-UHFFFAOYSA-N
XLogP4.82
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(cyclopropylmethyl)-5-[[6-[4-(2-hydroxypropan-2-yl)-3,5-dimethylpyrazol-1-yl]pyrimidin-4-yl]methyl]-4-methylpyrazol-3-yl]benzonitrile
CID 160815385
1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol
CID 159366458
4-[4-(cyclopropylmethoxy)-3,5-dimethylpyrazol-1-yl]-6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidine
CID 159572700
4-[1-(cyclopropylmethyl)-5-[[6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-4-methylpyrazol-3-yl]benzonitrile
CID 161351126
2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440886
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
CID 158868324
1-[6-[[1-(cyclopropylmethyl)-3-[4-(difluoromethyl)phenyl]-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 147535252
ethyl 1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 160680553
2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440309
4-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 158991774
4-[[1-(cyclopropylmethyl)-4-methyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]methyl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
CID 161355948
4-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]-6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]methyl]pyrimidine
CID 159989154

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (CID 146922381) is 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is Cc1nn(-c2cc(Cc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1C(C)(C)O.
What is the InChIKey of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
The InChIKey is ADKYXAHSZPVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c1-16-23(33(14-19-6-7-19)32-26(16)20-8-10-21(28)11-9-20)12-22-13-24(30-15-29-22)34-18(3)25(17(2)31-34)27(4,5)35/h8-11,13,15,19,35H,6-7,12,14H2,1-5H3.
What are the key properties of 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?
2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol has a molecular weight of 474.58 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 146922381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).