4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide

C15H19ClN4O2 — CID 119734148

IUPAC4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)Cn1cccn1
InChIInChI=1S/C15H19ClN4O2/c1-10(9-20-5-3-4-19-20)8-18-15(21)11-6-12(16)13(17)7-14(11)22-2/h3-7,10H,8-9,17H2,1-2H3,(H,18,21)
InChIKeyFVLQDSQGAWKYIH-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.19
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide

4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide (PubChem CID 119734148) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
PubChem CID119734148
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC(C)Cn1cccn1
InChIInChI=1S/C15H19ClN4O2/c1-10(9-20-5-3-4-19-20)8-18-15(21)11-6-12(16)13(17)7-14(11)22-2/h3-7,10H,8-9,17H2,1-2H3,(H,18,21)
InChIKeyFVLQDSQGAWKYIH-UHFFFAOYSA-N
XLogP2.19
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
CID 119805474
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
CID 94809649
4-amino-5-chloro-2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 119878835
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide (CID 119734148) is 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide is COc1cc(N)c(Cl)cc1C(=O)NCC(C)Cn1cccn1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is FVLQDSQGAWKYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-10(9-20-5-3-4-19-20)8-18-15(21)11-6-12(16)13(17)7-14(11)22-2/h3-7,10H,8-9,17H2,1-2H3,(H,18,21).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide?
4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 322.80 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 119734148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).