5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C19H24N4O2 — CID 96514082

IUPAC5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1ccc(C(=O)N2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-12(2)13-5-7-14(8-6-13)19(25)23-9-3-4-15(11-23)16-10-17(18(20)24)22-21-16/h5-8,10,12,15H,3-4,9,11H2,1-2H3,(H2,20,24)(H,21,22)/t15-/m0/s1
InChIKeyMKHNMRQLUMJNDH-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.65
Rot. Bonds4

About 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514082) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514082
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1ccc(C(=O)N2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)cc1
InChIInChI=1S/C19H24N4O2/c1-12(2)13-5-7-14(8-6-13)19(25)23-9-3-4-15(11-23)16-10-17(18(20)24)22-21-16/h5-8,10,12,15H,3-4,9,11H2,1-2H3,(H2,20,24)(H,21,22)/t15-/m0/s1
InChIKeyMKHNMRQLUMJNDH-HNNXBMFYSA-N
XLogP2.65
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
5-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373902
5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217795
5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 129470961
5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97021234
5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514023
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514082) is 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CC(C)c1ccc(C(=O)N2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)cc1.
What is the InChIKey of 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is MKHNMRQLUMJNDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)13-5-7-14(8-6-13)19(25)23-9-3-4-15(11-23)16-10-17(18(20)24)22-21-16/h5-8,10,12,15H,3-4,9,11H2,1-2H3,(H2,20,24)(H,21,22)/t15-/m0/s1.
What are the key properties of 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).