2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide

C13H15ClN4O2 — CID 81082949

IUPAC2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C13H15ClN4O2/c1-20-8-10(15)13(19)17-11-7-9(14)3-4-12(11)18-6-2-5-16-18/h2-7,10H,8,15H2,1H3,(H,17,19)
InChIKeySNMIRVXOFWJMRX-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide

2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide (PubChem CID 81082949) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
PubChem CID81082949
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C13H15ClN4O2/c1-20-8-10(15)13(19)17-11-7-9(14)3-4-12(11)18-6-2-5-16-18/h2-7,10H,8,15H2,1H3,(H,17,19)
InChIKeySNMIRVXOFWJMRX-UHFFFAOYSA-N
XLogP1.44
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
(2S)-2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methylbutanamide
CID 61179959
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
CID 103154914
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
CID 81083065

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide (CID 81082949) is 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide?
The InChIKey is SNMIRVXOFWJMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-20-8-10(15)13(19)17-11-7-9(14)3-4-12(11)18-6-2-5-16-18/h2-7,10H,8,15H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide?
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide has a molecular weight of 294.74 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 81082949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).