3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide

C13H21N5O2 — CID 75378433

IUPAC3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C13H21N5O2/c1-8(2)15-13(20)18-5-3-4-9(7-18)10-6-11(12(14)19)17-16-10/h6,8-9H,3-5,7H2,1-2H3,(H2,14,19)(H,15,20)(H,16,17)
InChIKeyLSNMYLPQPLIXDK-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.81
Rot. Bonds3

About 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide

3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 75378433) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID75378433
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C13H21N5O2/c1-8(2)15-13(20)18-5-3-4-9(7-18)10-6-11(12(14)19)17-16-10/h6,8-9H,3-5,7H2,1-2H3,(H2,14,19)(H,15,20)(H,16,17)
InChIKeyLSNMYLPQPLIXDK-UHFFFAOYSA-N
XLogP0.81
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122126620
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
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
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75378860
5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97021234
5-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373902
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
5-[(3S)-1-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97318255

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide (CID 75378433) is 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is LSNMYLPQPLIXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(2)15-13(20)18-5-3-4-9(7-18)10-6-11(12(14)19)17-16-10/h6,8-9H,3-5,7H2,1-2H3,(H2,14,19)(H,15,20)(H,16,17).
What are the key properties of 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide?
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 75378433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).