N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide

C21H21N3O3 — CID 42874460

IUPACN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C2CC2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-16-11-10-15(12-17(16)27-2)21(25)22-20-18(13-6-4-3-5-7-13)23-24-19(20)14-8-9-14/h3-7,10-12,14H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPJLQJGRVDRVVOJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.22
Rot. Bonds6

About N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide

N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide (PubChem CID 42874460) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
PubChem CID42874460
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C2CC2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-16-11-10-15(12-17(16)27-2)21(25)22-20-18(13-6-4-3-5-7-13)23-24-19(20)14-8-9-14/h3-7,10-12,14H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyPJLQJGRVDRVVOJ-UHFFFAOYSA-N
XLogP4.22
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]benzamide
CID 42874002
(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005058
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-[5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 42686544
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 42687455
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3,4-dimethoxy-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713719
N-(2,4-diphenyl-2,3-dihydro-1,3-oxazol-5-yl)-3,4-dimethoxybenzamide
CID 71085679
2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42687695

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide (CID 42874460) is N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C2CC2)cc1OC.
What is the InChIKey of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide?
The InChIKey is PJLQJGRVDRVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-16-11-10-15(12-17(16)27-2)21(25)22-20-18(13-6-4-3-5-7-13)23-24-19(20)14-8-9-14/h3-7,10-12,14H,8-9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide?
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide has a molecular weight of 363.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 42874460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).