5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H22N6O2 — CID 96514090

IUPAC5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCN(C(=O)CCCn3cccn3)C2)[nH]n1
InChIInChI=1S/C16H22N6O2/c17-16(24)14-10-13(19-20-14)12-4-1-7-21(11-12)15(23)5-2-8-22-9-3-6-18-22/h3,6,9-10,12H,1-2,4-5,7-8,11H2,(H2,17,24)(H,19,20)/t12-/m0/s1
InChIKeyWUXTUDZZYHKXSV-LBPRGKRZSA-N
MW330.39 g/mol
LogP0.89
Rot. Bonds6

About 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514090) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514090
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCN(C(=O)CCCn3cccn3)C2)[nH]n1
InChIInChI=1S/C16H22N6O2/c17-16(24)14-10-13(19-20-14)12-4-1-7-21(11-12)15(23)5-2-8-22-9-3-6-18-22/h3,6,9-10,12H,1-2,4-5,7-8,11H2,(H2,17,24)(H,19,20)/t12-/m0/s1
InChIKeyWUXTUDZZYHKXSV-LBPRGKRZSA-N
XLogP0.89
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776
5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514288
5-[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514274
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
5-[(3S)-1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514055
5-[1-[3-(oxolan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871692
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122126620
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514090) is 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@H]2CCCN(C(=O)CCCn3cccn3)C2)[nH]n1.
What is the InChIKey of 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is WUXTUDZZYHKXSV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6O2/c17-16(24)14-10-13(19-20-14)12-4-1-7-21(11-12)15(23)5-2-8-22-9-3-6-18-22/h3,6,9-10,12H,1-2,4-5,7-8,11H2,(H2,17,24)(H,19,20)/t12-/m0/s1.
What are the key properties of 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).