N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

C18H23N3O3 — CID 77086056

IUPACN-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOCC1(NC(=O)c2cnn(-c3ccccc3OC)c2)CCCC1
InChIInChI=1S/C18H23N3O3/c1-23-13-18(9-5-6-10-18)20-17(22)14-11-19-21(12-14)15-7-3-4-8-16(15)24-2/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyWLTBZSOETFFNKQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.57
Rot. Bonds6

About N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 77086056) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID77086056
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOCC1(NC(=O)c2cnn(-c3ccccc3OC)c2)CCCC1
InChIInChI=1S/C18H23N3O3/c1-23-13-18(9-5-6-10-18)20-17(22)14-11-19-21(12-14)15-7-3-4-8-16(15)24-2/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyWLTBZSOETFFNKQ-UHFFFAOYSA-N
XLogP2.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 154896280
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
1-(2-methoxyphenyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70712336
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706002
1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
CID 97143423
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97119728
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 56710407
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide
CID 118793092

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 77086056) is N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is COCC1(NC(=O)c2cnn(-c3ccccc3OC)c2)CCCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is WLTBZSOETFFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-13-18(9-5-6-10-18)20-17(22)14-11-19-21(12-14)15-7-3-4-8-16(15)24-2/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 77086056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).