N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C19H21ClN4O2 — CID 24819283

IUPACN-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CC1
InChIInChI=1S/C19H21ClN4O2/c20-15-5-3-14(4-6-15)19(26)23-11-8-16(9-12-23)24-17(7-10-21-24)22-18(25)13-1-2-13/h3-7,10,13,16H,1-2,8-9,11-12H2,(H,22,25)
InChIKeyDMBLMVHCHXXJNB-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.36
Rot. Bonds4

About N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24819283) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24819283
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CC1
InChIInChI=1S/C19H21ClN4O2/c20-15-5-3-14(4-6-15)19(26)23-11-8-16(9-12-23)24-17(7-10-21-24)22-18(25)13-1-2-13/h3-7,10,13,16H,1-2,8-9,11-12H2,(H,22,25)
InChIKeyDMBLMVHCHXXJNB-UHFFFAOYSA-N
XLogP3.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496
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CID 56739146
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N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 42245735
(3R)-N-[2-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
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CID 1072789
N-[2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 24817087
N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24793292
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 29185071

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24819283) is N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CC1.
What is the InChIKey of N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is DMBLMVHCHXXJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-15-5-3-14(4-6-15)19(26)23-11-8-16(9-12-23)24-17(7-10-21-24)22-18(25)13-1-2-13/h3-7,10,13,16H,1-2,8-9,11-12H2,(H,22,25).
What are the key properties of N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 372.86 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24819283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).