N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide

C19H25N3O3 — CID 71873157

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide
SMILESCOc1ccc(CN(C(=O)C2CCCC2)c2cnn(C)c2)c(OC)c1
InChIInChI=1S/C19H25N3O3/c1-21-13-16(11-20-21)22(19(23)14-6-4-5-7-14)12-15-8-9-17(24-2)10-18(15)25-3/h8-11,13-14H,4-7,12H2,1-3H3
InChIKeyHXNLYSQWNYJNFZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.16
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide

N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide (PubChem CID 71873157) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide
PubChem CID71873157
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide
SMILESCOc1ccc(CN(C(=O)C2CCCC2)c2cnn(C)c2)c(OC)c1
InChIInChI=1S/C19H25N3O3/c1-21-13-16(11-20-21)22(19(23)14-6-4-5-7-14)12-15-8-9-17(24-2)10-18(15)25-3/h8-11,13-14H,4-7,12H2,1-3H3
InChIKeyHXNLYSQWNYJNFZ-UHFFFAOYSA-N
XLogP3.16
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 126494683
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987
1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 112790483
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 74231555
3-cyclohexyl-1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]urea
CID 4276870
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503
(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637099
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838290
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27774368

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide (CID 71873157) is N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide is COc1ccc(CN(C(=O)C2CCCC2)c2cnn(C)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide?
The InChIKey is HXNLYSQWNYJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-21-13-16(11-20-21)22(19(23)14-6-4-5-7-14)12-15-8-9-17(24-2)10-18(15)25-3/h8-11,13-14H,4-7,12H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide is sourced from PubChem (CID 71873157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).