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

C24H25FN6O — CID 159366458

IUPAC1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol
SMILESCc1nn(-c2cc(Cc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1O
InChIInChI=1S/C24H25FN6O/c1-14-21(10-20-11-22(27-13-26-20)31-16(3)24(32)15(2)28-31)30(12-17-4-5-17)29-23(14)18-6-8-19(25)9-7-18/h6-9,11,13,17,32H,4-5,10,12H2,1-3H3
InChIKeyLJEOYVSXHLDNQG-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.30
Rot. Bonds6

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

1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol (PubChem CID 159366458) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol.

Molecular Properties

Compound Name1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol
PubChem CID159366458
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol
SMILESCc1nn(-c2cc(Cc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1O
InChIInChI=1S/C24H25FN6O/c1-14-21(10-20-11-22(27-13-26-20)31-16(3)24(32)15(2)28-31)30(12-17-4-5-17)29-23(14)18-6-8-19(25)9-7-18/h6-9,11,13,17,32H,4-5,10,12H2,1-3H3
InChIKeyLJEOYVSXHLDNQG-UHFFFAOYSA-N
XLogP4.30
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
1-[6-[[1-(cyclopropylmethyl)-3-[4-(difluoromethyl)phenyl]-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 147535252
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
CID 158868324
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
ethyl 1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 160680553
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
6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440827
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]pyrimidine
CID 159575169
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol?
The IUPAC name of 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol (CID 159366458) is 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol.
What is the SMILES notation for 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol?
The canonical SMILES for 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol is Cc1nn(-c2cc(Cc3c(C)c(-c4ccc(F)cc4)nn3CC3CC3)ncn2)c(C)c1O.
What is the InChIKey of 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol?
The InChIKey is LJEOYVSXHLDNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-14-21(10-20-11-22(27-13-26-20)31-16(3)24(32)15(2)28-31)30(12-17-4-5-17)29-23(14)18-6-8-19(25)9-7-18/h6-9,11,13,17,32H,4-5,10,12H2,1-3H3.
What are the key properties of 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol?
1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol has a molecular weight of 432.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol is sourced from PubChem (CID 159366458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).