6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile

C17H20N6O — CID 97151006

IUPAC6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)n1cccn1
InChIInChI=1S/C17H20N6O/c1-2-15(23-7-3-6-20-23)17(24)22-10-8-21(9-11-22)16-5-4-14(12-18)13-19-16/h3-7,13,15H,2,8-11H2,1H3/t15-/m1/s1
InChIKeyYMAXPDQLCLZVDO-OAHLLOKOSA-N
MW324.39 g/mol
LogP1.45
Rot. Bonds4

About 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 97151006) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID97151006
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)n1cccn1
InChIInChI=1S/C17H20N6O/c1-2-15(23-7-3-6-20-23)17(24)22-10-8-21(9-11-22)16-5-4-14(12-18)13-19-16/h3-7,13,15H,2,8-11H2,1H3/t15-/m1/s1
InChIKeyYMAXPDQLCLZVDO-OAHLLOKOSA-N
XLogP1.45
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
1-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 91838771
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylbutan-1-one
CID 70733476
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70781977
6-[4-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97194787
(2S)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 95203227
6-[4-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97197313
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 97151006) is 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile is CC[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)n1cccn1.
What is the InChIKey of 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YMAXPDQLCLZVDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N6O/c1-2-15(23-7-3-6-20-23)17(24)22-10-8-21(9-11-22)16-5-4-14(12-18)13-19-16/h3-7,13,15H,2,8-11H2,1H3/t15-/m1/s1.
What are the key properties of 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97151006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).