2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide

C15H24N4O2 — CID 97465255

IUPAC2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCCC[C@@H]2C)n(C)n1
InChIInChI=1S/C15H24N4O2/c1-11-10-13(18(3)17-11)15(21)16-8-7-14(20)19-9-5-4-6-12(19)2/h10,12H,4-9H2,1-3H3,(H,16,21)/t12-/m0/s1
InChIKeyJEQXWXHEQUNHFS-LBPRGKRZSA-N
MW292.38 g/mol
LogP1.25
Rot. Bonds4

About 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide (PubChem CID 97465255) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
PubChem CID97465255
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCCC[C@@H]2C)n(C)n1
InChIInChI=1S/C15H24N4O2/c1-11-10-13(18(3)17-11)15(21)16-8-7-14(20)19-9-5-4-6-12(19)2/h10,12H,4-9H2,1-3H3,(H,16,21)/t12-/m0/s1
InChIKeyJEQXWXHEQUNHFS-LBPRGKRZSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 91945943
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95274740
ethyl 4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butanoate
CID 61039145
1-ethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111954707
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106121963
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 77112141
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465251
1-cyclopentyl-2-methyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110991497
1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759487
N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-phenylmethoxyacetamide
CID 95286453

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide (CID 97465255) is 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCC(=O)N2CCCC[C@@H]2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
The InChIKey is JEQXWXHEQUNHFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-10-13(18(3)17-11)15(21)16-8-7-14(20)19-9-5-4-6-12(19)2/h10,12H,4-9H2,1-3H3,(H,16,21)/t12-/m0/s1.
What are the key properties of 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 97465255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).