6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C17H20N6O — CID 136525323

IUPAC6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)n1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C17H20N6O/c1-13(2)23-6-5-15(20-23)17(24)22-9-7-21(8-10-22)16-4-3-14(11-18)12-19-16/h3-6,12-13H,7-10H2,1-2H3
InChIKeyQCHDNYMGERGTMS-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.69
Rot. Bonds3

About 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 136525323) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID136525323
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)n1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C17H20N6O/c1-13(2)23-6-5-15(20-23)17(24)22-9-7-21(8-10-22)16-4-3-14(11-18)12-19-16/h3-6,12-13H,7-10H2,1-2H3
InChIKeyQCHDNYMGERGTMS-UHFFFAOYSA-N
XLogP1.69
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(1-butyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 47067765
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 70776141
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154873773
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 136525323) is 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is CC(C)n1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1.
What is the InChIKey of 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is QCHDNYMGERGTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13(2)23-6-5-15(20-23)17(24)22-9-7-21(8-10-22)16-4-3-14(11-18)12-19-16/h3-6,12-13H,7-10H2,1-2H3.
What are the key properties of 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 136525323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).