4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine

C25H26ClFN6 — CID 158868324

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
SMILESCCc1c(-c2ccc(F)cc2)nn(CC2CC2)c1Cc1cc(-n2nc(C)c(Cl)c2C)ncn1
InChIInChI=1S/C25H26ClFN6/c1-4-21-22(11-20-12-23(29-14-28-20)33-16(3)24(26)15(2)30-33)32(13-17-5-6-17)31-25(21)18-7-9-19(27)10-8-18/h7-10,12,14,17H,4-6,11,13H2,1-3H3
InChIKeyJBNJDOUHRQORFJ-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.50
Rot. Bonds7

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine (PubChem CID 158868324) has the molecular formula C25H26ClFN6 and a molecular weight of 464.98 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
PubChem CID158868324
Molecular FormulaC25H26ClFN6
Molecular Weight464.98 g/mol
Exact Mass464.19
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
SMILESCCc1c(-c2ccc(F)cc2)nn(CC2CC2)c1Cc1cc(-n2nc(C)c(Cl)c2C)ncn1
InChIInChI=1S/C25H26ClFN6/c1-4-21-22(11-20-12-23(29-14-28-20)33-16(3)24(26)15(2)30-33)32(13-17-5-6-17)31-25(21)18-7-9-19(27)10-8-18/h7-10,12,14,17H,4-6,11,13H2,1-3H3
InChIKeyJBNJDOUHRQORFJ-UHFFFAOYSA-N
XLogP5.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-bromo-3,5-dimethylpyrazol-1-yl)-6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]pyrimidine
CID 159575169
4-[1-(cyclopropylmethyl)-5-[[6-(4-fluoro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-4-methylpyrazol-3-yl]benzonitrile
CID 161351126
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine
CID 134440006
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
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-[[4-chloro-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 149396498
4-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 158991774
4-[5-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-(cyclopropylmethyl)-4-methylpyrazol-3-yl]benzonitrile
CID 142754055

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine (CID 158868324) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine is CCc1c(-c2ccc(F)cc2)nn(CC2CC2)c1Cc1cc(-n2nc(C)c(Cl)c2C)ncn1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine?
The InChIKey is JBNJDOUHRQORFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6/c1-4-21-22(11-20-12-23(29-14-28-20)33-16(3)24(26)15(2)30-33)32(13-17-5-6-17)31-25(21)18-7-9-19(27)10-8-18/h7-10,12,14,17H,4-6,11,13H2,1-3H3.
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine has a molecular weight of 464.98 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine is sourced from PubChem (CID 158868324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).