2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile

C14H14N6O — CID 167778065

IUPAC2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)c3cn[nH]c3)CC2)c1
InChIInChI=1S/C14H14N6O/c15-8-11-1-2-16-13(7-11)19-3-5-20(6-4-19)14(21)12-9-17-18-10-12/h1-2,7,9-10H,3-6H2,(H,17,18)
InChIKeyJBRWIQYDAUDFHM-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.64
Rot. Bonds2

About 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile

2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 167778065) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID167778065
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(C(=O)c3cn[nH]c3)CC2)c1
InChIInChI=1S/C14H14N6O/c15-8-11-1-2-16-13(7-11)19-3-5-20(6-4-19)14(21)12-9-17-18-10-12/h1-2,7,9-10H,3-6H2,(H,17,18)
InChIKeyJBRWIQYDAUDFHM-UHFFFAOYSA-N
XLogP0.64
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]benzonitrile
CID 122150780
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[4-(ethylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55890411
2-[4-[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55634977
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 56816116
1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55832394
2-[4-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 18209813
2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 166265290
tert-butyl 4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 75365577
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 167778065) is 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(C(=O)c3cn[nH]c3)CC2)c1.
What is the InChIKey of 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is JBRWIQYDAUDFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-8-11-1-2-16-13(7-11)19-3-5-20(6-4-19)14(21)12-9-17-18-10-12/h1-2,7,9-10H,3-6H2,(H,17,18).
What are the key properties of 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 282.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 167778065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).