5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine

C27H31N7 — CID 144886075

IUPAC5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine
SMILESc1cc(-c2cnn(C3CCNCC3)c2)cc(-c2ncc(-c3cnn(C4CCCCC4)c3)cn2)c1
InChIInChI=1S/C27H31N7/c1-2-7-25(8-3-1)33-19-24(17-32-33)22-14-29-27(30-15-22)21-6-4-5-20(13-21)23-16-31-34(18-23)26-9-11-28-12-10-26/h4-6,13-19,25-26,28H,1-3,7-12H2
InChIKeyWBXIUKRPFDBUFR-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.30
Rot. Bonds5

About 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine

5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine (PubChem CID 144886075) has the molecular formula C27H31N7 and a molecular weight of 453.59 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine
PubChem CID144886075
Molecular FormulaC27H31N7
Molecular Weight453.59 g/mol
Exact Mass453.26
IUPAC Name5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine
SMILESc1cc(-c2cnn(C3CCNCC3)c2)cc(-c2ncc(-c3cnn(C4CCCCC4)c3)cn2)c1
InChIInChI=1S/C27H31N7/c1-2-7-25(8-3-1)33-19-24(17-32-33)22-14-29-27(30-15-22)21-6-4-5-20(13-21)23-16-31-34(18-23)26-9-11-28-12-10-26/h4-6,13-19,25-26,28H,1-3,7-12H2
InChIKeyWBXIUKRPFDBUFR-UHFFFAOYSA-N
XLogP5.30
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidine;2,2,2-trifluoroacetic acid
CID 118227135
4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-one
CID 72943398
N-[(3R)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]methanesulfonamide
CID 118234093
1-cyclopentyl-4-(3-iodophenyl)pyrazole
CID 79788089
8-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-azaspiro[4.5]decan-2-ol
CID 123805654
3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexane-1-carboxylate
CID 140877997
4-[(3S)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]morpholine
CID 144886080
N-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]acetamide
CID 72943282
2-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]oxyethanol
CID 118072883
N-[(1R,3S)-3-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexyl]prop-2-enamide
CID 135134495
4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 118234168
1,1,1-trifluoro-3-[4-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]piperidin-1-yl]propan-2-ol
CID 72944227

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine?
The IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine (CID 144886075) is 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine.
What is the SMILES notation for 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine?
The canonical SMILES for 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine is c1cc(-c2cnn(C3CCNCC3)c2)cc(-c2ncc(-c3cnn(C4CCCCC4)c3)cn2)c1.
What is the InChIKey of 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine?
The InChIKey is WBXIUKRPFDBUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7/c1-2-7-25(8-3-1)33-19-24(17-32-33)22-14-29-27(30-15-22)21-6-4-5-20(13-21)23-16-31-34(18-23)26-9-11-28-12-10-26/h4-6,13-19,25-26,28H,1-3,7-12H2.
What are the key properties of 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine?
5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine has a molecular weight of 453.59 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexylpyrazol-4-yl)-2-[3-(1-piperidin-4-ylpyrazol-4-yl)phenyl]pyrimidine is sourced from PubChem (CID 144886075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).