N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide

C17H22N4O3 — CID 95590950

IUPACN-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(C[C@H](CNC(=O)c2cc(C)[nH]n2)C(N)=O)cc1
InChIInChI=1S/C17H22N4O3/c1-3-24-14-6-4-12(5-7-14)9-13(16(18)22)10-19-17(23)15-8-11(2)20-21-15/h4-8,13H,3,9-10H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t13-/m1/s1
InChIKeyQWRPHRZEADJHIS-CYBMUJFWSA-N
MW330.39 g/mol
LogP1.19
Rot. Bonds8

About N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 95590950) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID95590950
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCOc1ccc(C[C@H](CNC(=O)c2cc(C)[nH]n2)C(N)=O)cc1
InChIInChI=1S/C17H22N4O3/c1-3-24-14-6-4-12(5-7-14)9-13(16(18)22)10-19-17(23)15-8-11(2)20-21-15/h4-8,13H,3,9-10H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t13-/m1/s1
InChIKeyQWRPHRZEADJHIS-CYBMUJFWSA-N
XLogP1.19
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)methyl]-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
CID 119232158
(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide
CID 29061664
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 95137289
2-[[(3,5-dimethylfuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232112
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
2-[(4-ethoxyphenyl)methyl]-3-[(3-methylthiophene-2-carbonyl)amino]propanoic acid
CID 119232009
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56821703
2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 95590950) is N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide is CCOc1ccc(C[C@H](CNC(=O)c2cc(C)[nH]n2)C(N)=O)cc1.
What is the InChIKey of N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QWRPHRZEADJHIS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-24-14-6-4-12(5-7-14)9-13(16(18)22)10-19-17(23)15-8-11(2)20-21-15/h4-8,13H,3,9-10H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95590950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).