2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide

C14H17N5O2 — CID 43705851

IUPAC2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
SMILESNC(=O)Cn1cc(NC(=O)C(N)Cc2ccccc2)cn1
InChIInChI=1S/C14H17N5O2/c15-12(6-10-4-2-1-3-5-10)14(21)18-11-7-17-19(8-11)9-13(16)20/h1-5,7-8,12H,6,9,15H2,(H2,16,20)(H,18,21)
InChIKeyJSOOJTYQYZJXKE-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.12
Rot. Bonds6

About 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide

2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide (PubChem CID 43705851) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
PubChem CID43705851
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide
SMILESNC(=O)Cn1cc(NC(=O)C(N)Cc2ccccc2)cn1
InChIInChI=1S/C14H17N5O2/c15-12(6-10-4-2-1-3-5-10)14(21)18-11-7-17-19(8-11)9-13(16)20/h1-5,7-8,12H,6,9,15H2,(H2,16,20)(H,18,21)
InChIKeyJSOOJTYQYZJXKE-UHFFFAOYSA-N
XLogP-0.12
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
2-[4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 102432306
(2R)-2-amino-N-(4-iodophenyl)-3-phenylpropanamide
CID 28976654
N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107022931
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103794914
2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 43783600

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide (CID 43705851) is 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide is NC(=O)Cn1cc(NC(=O)C(N)Cc2ccccc2)cn1.
What is the InChIKey of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide?
The InChIKey is JSOOJTYQYZJXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-12(6-10-4-2-1-3-5-10)14(21)18-11-7-17-19(8-11)9-13(16)20/h1-5,7-8,12H,6,9,15H2,(H2,16,20)(H,18,21).
What are the key properties of 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide?
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide has a molecular weight of 287.32 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 43705851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).