5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C19H19ClN6O2 — CID 97217795

IUPAC5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCN(C(=O)c3ccn(-c4ccccc4Cl)n3)C2)[nH]n1
InChIInChI=1S/C19H19ClN6O2/c20-13-5-1-2-6-17(13)26-9-7-14(24-26)19(28)25-8-3-4-12(11-25)15-10-16(18(21)27)23-22-15/h1-2,5-7,9-10,12H,3-4,8,11H2,(H2,21,27)(H,22,23)/t12-/m0/s1
InChIKeyUZTDEUQSNDQOHS-LBPRGKRZSA-N
MW398.85 g/mol
LogP2.37
Rot. Bonds4

About 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 97217795) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID97217795
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc([C@H]2CCCN(C(=O)c3ccn(-c4ccccc4Cl)n3)C2)[nH]n1
InChIInChI=1S/C19H19ClN6O2/c20-13-5-1-2-6-17(13)26-9-7-14(24-26)19(28)25-8-3-4-12(11-25)15-10-16(18(21)27)23-22-15/h1-2,5-7,9-10,12H,3-4,8,11H2,(H2,21,27)(H,22,23)/t12-/m0/s1
InChIKeyUZTDEUQSNDQOHS-LBPRGKRZSA-N
XLogP2.37
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
N-cyclopentyl-5-[1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 110268886
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776
[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 154762709
5-[(3S)-1-(4-pyrazol-1-ylbutanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514090
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
[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 126770991
5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514288

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 97217795) is 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc([C@H]2CCCN(C(=O)c3ccn(-c4ccccc4Cl)n3)C2)[nH]n1.
What is the InChIKey of 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is UZTDEUQSNDQOHS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c20-13-5-1-2-6-17(13)26-9-7-14(24-26)19(28)25-8-3-4-12(11-25)15-10-16(18(21)27)23-22-15/h1-2,5-7,9-10,12H,3-4,8,11H2,(H2,21,27)(H,22,23)/t12-/m0/s1.
What are the key properties of 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97217795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).