1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

C19H32N4O — CID 100626552

IUPAC1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(CCC3CCCCCC3)C2)n1
InChIInChI=1S/C19H32N4O/c1-20-19(24)18-11-14-23(21-18)17-9-6-12-22(15-17)13-10-16-7-4-2-3-5-8-16/h11,14,16-17H,2-10,12-13,15H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyRZNGQMRZSCHCGW-KRWDZBQOSA-N
MW332.49 g/mol
LogP3.24
Rot. Bonds5

About 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide

1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 100626552) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID100626552
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn([C@H]2CCCN(CCC3CCCCCC3)C2)n1
InChIInChI=1S/C19H32N4O/c1-20-19(24)18-11-14-23(21-18)17-9-6-12-22(15-17)13-10-16-7-4-2-3-5-8-16/h11,14,16-17H,2-10,12-13,15H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyRZNGQMRZSCHCGW-KRWDZBQOSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976151
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129475944
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 128976100
1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129332274
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129344407
N-methyl-1-[(3R)-1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129477222
N-(5-ethyl-1,2-oxazol-3-yl)-3-[3-(methylcarbamoyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 136541575

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 100626552) is 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn([C@H]2CCCN(CCC3CCCCCC3)C2)n1.
What is the InChIKey of 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is RZNGQMRZSCHCGW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N4O/c1-20-19(24)18-11-14-23(21-18)17-9-6-12-22(15-17)13-10-16-7-4-2-3-5-8-16/h11,14,16-17H,2-10,12-13,15H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 100626552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).