N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C20H26N4O2 — CID 131923639

IUPACN-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)n(C)n1
InChIInChI=1S/C20H26N4O2/c1-4-15-12-18(24(3)23-15)20(26)22-17-11-13(2)9-10-16(17)21-19(25)14-7-5-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVPELRDIKGZZPAS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 131923639) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID131923639
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)n(C)n1
InChIInChI=1S/C20H26N4O2/c1-4-15-12-18(24(3)23-15)20(26)22-17-11-13(2)9-10-16(17)21-19(25)14-7-5-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyVPELRDIKGZZPAS-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
CID 131902266
cyclohexyl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105076841
N-(4-bromo-2-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121522
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-[4-methyl-2-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]phenyl]cyclopentanecarboxamide
CID 131897893
N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119916
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-1H-indole-2-carboxamide
CID 131946892
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 131923639) is N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2cc(C)ccc2NC(=O)C2CCCC2)n(C)n1.
What is the InChIKey of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is VPELRDIKGZZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-15-12-18(24(3)23-15)20(26)22-17-11-13(2)9-10-16(17)21-19(25)14-7-5-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 131923639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).