N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide

C13H16N4O — CID 63755943

IUPACN-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-17-12(7-8-15-17)13(18)16-11(9-14)10-5-3-2-4-6-10/h2-8,11H,9,14H2,1H3,(H,16,18)
InChIKeyALBGHTKKUCALOI-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.85
Rot. Bonds4

About N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide

N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide (PubChem CID 63755943) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
PubChem CID63755943
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-17-12(7-8-15-17)13(18)16-11(9-14)10-5-3-2-4-6-10/h2-8,11H,9,14H2,1H3,(H,16,18)
InChIKeyALBGHTKKUCALOI-UHFFFAOYSA-N
XLogP0.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
N-(2-amino-1-phenylethyl)-5-methylfuran-3-carboxamide
CID 114823481
(2-amino-1-phenylethyl)carbamic acid
CID 66600321
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
2-[5-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487542
N-(2-amino-1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63754503
N-(2-amino-1-phenylethyl)-2-hydroxybenzamide
CID 55242924
(2S)-3,3-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 61143265
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide (CID 63755943) is N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NC(CN)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is ALBGHTKKUCALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-12(7-8-15-17)13(18)16-11(9-14)10-5-3-2-4-6-10/h2-8,11H,9,14H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide?
N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 63755943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).