N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide

C15H26N4O2 — CID 90224495

IUPACN-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
SMILESCC(C)N1CCC(CCN(C)C(=O)c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C15H26N4O2/c1-11(2)19-8-5-12(6-9-19)4-7-18(3)15(21)13-10-14(20)17-16-13/h10-12H,4-9H2,1-3H3,(H2,16,17,20)
InChIKeySIKDEARHKHRJJD-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.29
Rot. Bonds5

About N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide

N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide (PubChem CID 90224495) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
PubChem CID90224495
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide
SMILESCC(C)N1CCC(CCN(C)C(=O)c2cc(=O)[nH][nH]2)CC1
InChIInChI=1S/C15H26N4O2/c1-11(2)19-8-5-12(6-9-19)4-7-18(3)15(21)13-10-14(20)17-16-13/h10-12H,4-9H2,1-3H3,(H2,16,17,20)
InChIKeySIKDEARHKHRJJD-UHFFFAOYSA-N
XLogP1.29
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-1-methyl-N-{1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl}-1H-pyrazole-3-carboxamide
CID 138035128
3-hydroxy-1-methyl-N-(piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 132227815
5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2-methyl-1H-pyrazol-3-one
CID 154843440
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 90226850
(Z)-2-amino-3-hydrazinyl-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;ethane
CID 144649704
1-[2-(2-Methyl-6-oxo-1-pyridinyl)acetyl]piperidine-4-carbohydrazide
CID 63577083
N-{(3S*,4R*)-1-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)carbonyl]-4-propyl-3-pyrrolidinyl}acetamide
CID 70782521
2-isobutyl-8-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72847204
N-cyclohexyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466311
5-(3,5-Dimethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466349
5-(4-Amino-2,2,6,6-tetramethylpiperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 108466353
5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-dihydropyrazole-3-carboxamide
CID 108466354

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide (CID 90224495) is N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide is CC(C)N1CCC(CCN(C)C(=O)c2cc(=O)[nH][nH]2)CC1.
What is the InChIKey of N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is SIKDEARHKHRJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)19-8-5-12(6-9-19)4-7-18(3)15(21)13-10-14(20)17-16-13/h10-12H,4-9H2,1-3H3,(H2,16,17,20).
What are the key properties of N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide?
N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 90224495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).