1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

C20H22N4O — CID 56738196

IUPAC1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(-c2cn[nH]c2C2CCCN(C(=O)C3(C#N)CC3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-14-4-6-15(7-5-14)17-11-22-23-18(17)16-3-2-10-24(12-16)19(25)20(13-21)8-9-20/h4-7,11,16H,2-3,8-10,12H2,1H3,(H,22,23)
InChIKeyFHGDOFCDAQMDRZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.39
Rot. Bonds3

About 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 56738196) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID56738196
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCc1ccc(-c2cn[nH]c2C2CCCN(C(=O)C3(C#N)CC3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-14-4-6-15(7-5-14)17-11-22-23-18(17)16-3-2-10-24(12-16)19(25)20(13-21)8-9-20/h4-7,11,16H,2-3,8-10,12H2,1H3,(H,22,23)
InChIKeyFHGDOFCDAQMDRZ-UHFFFAOYSA-N
XLogP3.39
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
5-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 95188082
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 95211783
2-methyl-5-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-4-one
CID 95200554
N-[3-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]acetamide
CID 70731856
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 56738196) is 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is Cc1ccc(-c2cn[nH]c2C2CCCN(C(=O)C3(C#N)CC3)C2)cc1.
What is the InChIKey of 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is FHGDOFCDAQMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-4-6-15(7-5-14)17-11-22-23-18(17)16-3-2-10-24(12-16)19(25)20(13-21)8-9-20/h4-7,11,16H,2-3,8-10,12H2,1H3,(H,22,23).
What are the key properties of 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 56738196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).