2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide

C14H18N4O — CID 62487194

IUPAC2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-10-11(9-17-18-10)8-16-13(19)14(2,15)12-6-4-3-5-7-12/h3-7,9H,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRJGYQONTEAPSFT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.21
Rot. Bonds4

About 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide

2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide (PubChem CID 62487194) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
PubChem CID62487194
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-10-11(9-17-18-10)8-16-13(19)14(2,15)12-6-4-3-5-7-12/h3-7,9H,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRJGYQONTEAPSFT-UHFFFAOYSA-N
XLogP1.21
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82821092
2-methyl-2-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 62846720
2,2-dimethyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 65302432
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120595863
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54896845
2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
CID 110836972
2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
CID 61021792
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide (CID 62487194) is 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide is Cc1[nH]ncc1CNC(=O)C(C)(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide?
The InChIKey is RJGYQONTEAPSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-11(9-17-18-10)8-16-13(19)14(2,15)12-6-4-3-5-7-12/h3-7,9H,8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide?
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 62487194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).