N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide

C27H40N4O — CID 42508337

IUPACN-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CC2CCN(CCc3ccccc3C)CC2)C2CCCC2)n(C)n1
InChIInChI=1S/C27H40N4O/c1-4-24-19-26(29(3)28-24)27(32)31(25-11-7-8-12-25)20-22-13-16-30(17-14-22)18-15-23-10-6-5-9-21(23)2/h5-6,9-10,19,22,25H,4,7-8,11-18,20H2,1-3H3
InChIKeyCVYUPWFCLBMPBL-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.63
Rot. Bonds8

About N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide

N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide (PubChem CID 42508337) has the molecular formula C27H40N4O and a molecular weight of 436.64 g/mol. Its IUPAC name is N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
PubChem CID42508337
Molecular FormulaC27H40N4O
Molecular Weight436.64 g/mol
Exact Mass436.32
IUPAC NameN-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CC2CCN(CCc3ccccc3C)CC2)C2CCCC2)n(C)n1
InChIInChI=1S/C27H40N4O/c1-4-24-19-26(29(3)28-24)27(32)31(25-11-7-8-12-25)20-22-13-16-30(17-14-22)18-15-23-10-6-5-9-21(23)2/h5-6,9-10,19,22,25H,4,7-8,11-18,20H2,1-3H3
InChIKeyCVYUPWFCLBMPBL-UHFFFAOYSA-N
XLogP4.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 42394443
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42394839
N-cyclopentyl-4,6-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45221890
N-cyclopentyl-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42212425
N-cyclopentyl-2-methoxy-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 42147593
N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-4-oxopentanamide
CID 25310263
1-N'-cyclopentyl-1-N'-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]cyclopropane-1,1-dicarboxamide
CID 25386243
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 25454045
(2R)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97279230
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810
N-cyclopentyl-2,2-dimethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]oxane-4-carboxamide
CID 45206163
N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide (CID 42508337) is N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide is CCc1cc(C(=O)N(CC2CCN(CCc3ccccc3C)CC2)C2CCCC2)n(C)n1.
What is the InChIKey of N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide?
The InChIKey is CVYUPWFCLBMPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O/c1-4-24-19-26(29(3)28-24)27(32)31(25-11-7-8-12-25)20-22-13-16-30(17-14-22)18-15-23-10-6-5-9-21(23)2/h5-6,9-10,19,22,25H,4,7-8,11-18,20H2,1-3H3.
What are the key properties of N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide?
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 436.64 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 42508337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).