5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide

C19H32N4O3 — CID 167767980

IUPAC5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)COC(C)C)nn1C
InChIInChI=1S/C19H32N4O3/c1-5-15-10-17(22-23(15)4)19(25)21-16-9-7-6-8-14(16)11-20-18(24)12-26-13(2)3/h10,13-14,16H,5-9,11-12H2,1-4H3,(H,20,24)(H,21,25)/t14-,16-/m1/s1
InChIKeyQSCMJQRIAUWYPC-GDBMZVCRSA-N
MW364.49 g/mol
LogP1.81
Rot. Bonds8

About 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide

5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide (PubChem CID 167767980) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide
PubChem CID167767980
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)COC(C)C)nn1C
InChIInChI=1S/C19H32N4O3/c1-5-15-10-17(22-23(15)4)19(25)21-16-9-7-6-8-14(16)11-20-18(24)12-26-13(2)3/h10,13-14,16H,5-9,11-12H2,1-4H3,(H,20,24)(H,21,25)/t14-,16-/m1/s1
InChIKeyQSCMJQRIAUWYPC-GDBMZVCRSA-N
XLogP1.81
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate
CID 176935397
5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
CID 146130844
N-[2-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-1-cyclohexylpyrazole-3-carboxamide
CID 154874837
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide
CID 136586301
2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113263276
N-cyclohexyl-5-ethyl-1-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 142991730
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
CID 114284665
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
5-N-ethyl-1-methyl-3-N-propan-2-ylpyrazole-3,5-dicarboxamide
CID 176998080
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide (CID 167767980) is 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide is CCc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)COC(C)C)nn1C.
What is the InChIKey of 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide?
The InChIKey is QSCMJQRIAUWYPC-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-5-15-10-17(22-23(15)4)19(25)21-16-9-7-6-8-14(16)11-20-18(24)12-26-13(2)3/h10,13-14,16H,5-9,11-12H2,1-4H3,(H,20,24)(H,21,25)/t14-,16-/m1/s1.
What are the key properties of 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide?
5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-N-[(1R,2R)-2-[[(2-propan-2-yloxyacetyl)amino]methyl]cyclohexyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167767980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).