1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide

C17H20N4O2 — CID 146086934

IUPAC1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCn1ncc(C(=O)N2CCCC(C(N)=O)C2)c1-c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-20-15(12-6-3-2-4-7-12)14(10-19-20)17(23)21-9-5-8-13(11-21)16(18)22/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H2,18,22)
InChIKeyINGCQHIOIPHMQJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.42
Rot. Bonds3

About 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide

1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide (PubChem CID 146086934) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
PubChem CID146086934
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
SMILESCn1ncc(C(=O)N2CCCC(C(N)=O)C2)c1-c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-20-15(12-6-3-2-4-7-12)14(10-19-20)17(23)21-9-5-8-13(11-21)16(18)22/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H2,18,22)
InChIKeyINGCQHIOIPHMQJ-UHFFFAOYSA-N
XLogP1.42
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 71901280
(4a-bromo-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 58724589
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
6-azaspiro[3.4]octan-6-yl-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 100903578
(3S)-1-[3-(2-propan-2-ylphenyl)benzoyl]piperidine-3-carboxamide
CID 126442176
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 60588958
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 103336874

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide (CID 146086934) is 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide is Cn1ncc(C(=O)N2CCCC(C(N)=O)C2)c1-c1ccccc1.
What is the InChIKey of 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is INGCQHIOIPHMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-15(12-6-3-2-4-7-12)14(10-19-20)17(23)21-9-5-8-13(11-21)16(18)22/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H2,18,22).
What are the key properties of 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide?
1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 146086934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).