N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide

C21H29N3O3 — CID 74238255

IUPACN-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1cc(CN(C(=O)c2cn(C)nc2C)C2CCCC2)ccc1OC
InChIInChI=1S/C21H29N3O3/c1-5-27-20-12-16(10-11-19(20)26-4)13-24(17-8-6-7-9-17)21(25)18-14-23(3)22-15(18)2/h10-12,14,17H,5-9,13H2,1-4H3
InChIKeyWRQRMSKLNJJWJA-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.72
Rot. Bonds7

About N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide

N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 74238255) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID74238255
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1cc(CN(C(=O)c2cn(C)nc2C)C2CCCC2)ccc1OC
InChIInChI=1S/C21H29N3O3/c1-5-27-20-12-16(10-11-19(20)26-4)13-24(17-8-6-7-9-17)21(25)18-14-23(3)22-15(18)2/h10-12,14,17H,5-9,13H2,1-4H3
InChIKeyWRQRMSKLNJJWJA-UHFFFAOYSA-N
XLogP3.72
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-ethoxybenzamide
CID 3781046
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-ethoxybenzamide
CID 40871138
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
CID 42472057
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
2-[[(3-ethoxy-4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-ol
CID 110011425
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
CID 19629245
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-cyclopentyl-N-[[4-methoxy-3-(thiophen-2-ylmethoxy)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 26320099
N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 24632569

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide (CID 74238255) is N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide is CCOc1cc(CN(C(=O)c2cn(C)nc2C)C2CCCC2)ccc1OC.
What is the InChIKey of N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is WRQRMSKLNJJWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-27-20-12-16(10-11-19(20)26-4)13-24(17-8-6-7-9-17)21(25)18-14-23(3)22-15(18)2/h10-12,14,17H,5-9,13H2,1-4H3.
What are the key properties of N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 74238255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).