4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine

C16H14N4 — CID 119062173

IUPAC4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine
SMILESc1cnn(-c2ccc(-c3cc(C4CC4)ncn3)cc2)c1
InChIInChI=1S/C16H14N4/c1-8-19-20(9-1)14-6-4-13(5-7-14)16-10-15(12-2-3-12)17-11-18-16/h1,4-12H,2-3H2
InChIKeyQNNIKBUNTOIBKI-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.21
Rot. Bonds3

About 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine

4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine (PubChem CID 119062173) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine
PubChem CID119062173
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine
SMILESc1cnn(-c2ccc(-c3cc(C4CC4)ncn3)cc2)c1
InChIInChI=1S/C16H14N4/c1-8-19-20(9-1)14-6-4-13(5-7-14)16-10-15(12-2-3-12)17-11-18-16/h1,4-12H,2-3H2
InChIKeyQNNIKBUNTOIBKI-UHFFFAOYSA-N
XLogP3.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 74237104
(4-methylpiperazin-1-yl)-[2-(4-pyrazol-1-ylphenyl)-4-pyridinyl]methanone
CID 119063293
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115003623
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-(4-bromophenyl)pyrazole
CID 10443564
1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
CID 90924211
4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
CID 139757385
3-cyclopropyl-4-methyl-5-[(4-pyrazol-1-ylphenoxy)methyl]-1,2,4-triazole
CID 75522065
2-(1-bicyclo[2.2.2]octanyl)-4-(3-pyrazol-1-ylphenyl)-1,3,5-triazine
CID 140595848
1-[2-[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrimidin-2-one
CID 126932752
2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine
CID 139429234

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine (CID 119062173) is 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine is c1cnn(-c2ccc(-c3cc(C4CC4)ncn3)cc2)c1.
What is the InChIKey of 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine?
The InChIKey is QNNIKBUNTOIBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-8-19-20(9-1)14-6-4-13(5-7-14)16-10-15(12-2-3-12)17-11-18-16/h1,4-12H,2-3H2.
What are the key properties of 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine?
4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine has a molecular weight of 262.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(4-pyrazol-1-ylphenyl)pyrimidine is sourced from PubChem (CID 119062173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).