4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile

C29H29N7O — CID 146145956

IUPAC4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(N3CCN(C(=O)c4cnn(C5CCCC5)c4-c4ccccc4)CC3)n[nH]2)cc1
InChIInChI=1S/C29H29N7O/c30-19-21-10-12-22(13-11-21)26-18-27(33-32-26)34-14-16-35(17-15-34)29(37)25-20-31-36(24-8-4-5-9-24)28(25)23-6-2-1-3-7-23/h1-3,6-7,10-13,18,20,24H,4-5,8-9,14-17H2,(H,32,33)
InChIKeyFREFQIGIALXGHQ-UHFFFAOYSA-N
MW491.60 g/mol
LogP4.89
Rot. Bonds5

About 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile

4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile (PubChem CID 146145956) has the molecular formula C29H29N7O and a molecular weight of 491.60 g/mol. Its IUPAC name is 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile
PubChem CID146145956
Molecular FormulaC29H29N7O
Molecular Weight491.60 g/mol
Exact Mass491.24
IUPAC Name4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(N3CCN(C(=O)c4cnn(C5CCCC5)c4-c4ccccc4)CC3)n[nH]2)cc1
InChIInChI=1S/C29H29N7O/c30-19-21-10-12-22(13-11-21)26-18-27(33-32-26)34-14-16-35(17-15-34)29(37)25-20-31-36(24-8-4-5-9-24)28(25)23-6-2-1-3-7-23/h1-3,6-7,10-13,18,20,24H,4-5,8-9,14-17H2,(H,32,33)
InChIKeyFREFQIGIALXGHQ-UHFFFAOYSA-N
XLogP4.89
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
CID 122106902
4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]benzonitrile
CID 75527295
(2-chloro-4-fluorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91904740
(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91914523
(3-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180949
4-[5-(4-cyanophenyl)-1H-pyrazol-3-yl]-N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]piperazine-1-carboxamide
CID 166377009
(5-chloro-2-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 75527188
(4-ethoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180939
3-[3-(4-aminopiperidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
CID 114697653
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 91887616
3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 75527247
2-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 91904652

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile (CID 146145956) is 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile is N#Cc1ccc(-c2cc(N3CCN(C(=O)c4cnn(C5CCCC5)c4-c4ccccc4)CC3)n[nH]2)cc1.
What is the InChIKey of 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile?
The InChIKey is FREFQIGIALXGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O/c30-19-21-10-12-22(13-11-21)26-18-27(33-32-26)34-14-16-35(17-15-34)29(37)25-20-31-36(24-8-4-5-9-24)28(25)23-6-2-1-3-7-23/h1-3,6-7,10-13,18,20,24H,4-5,8-9,14-17H2,(H,32,33).
What are the key properties of 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile?
4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile has a molecular weight of 491.60 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile is sourced from PubChem (CID 146145956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).