(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide

C19H22N4O — CID 97132419

IUPAC(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC#Cc1ccccc1)C(=O)[C@@H](N)c1c(C)n[nH]c1C
InChIInChI=1S/C19H22N4O/c1-4-12-23(13-8-11-16-9-6-5-7-10-16)19(24)18(20)17-14(2)21-22-15(17)3/h4-7,9-10,18H,1,12-13,20H2,2-3H3,(H,21,22)/t18-/m0/s1
InChIKeyZTFMFPKYIBGCLG-SFHVURJKSA-N
MW322.41 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide

(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide (PubChem CID 97132419) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide
PubChem CID97132419
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide
SMILESC=CCN(CC#Cc1ccccc1)C(=O)[C@@H](N)c1c(C)n[nH]c1C
InChIInChI=1S/C19H22N4O/c1-4-12-23(13-8-11-16-9-6-5-7-10-16)19(24)18(20)17-14(2)21-22-15(17)3/h4-7,9-10,18H,1,12-13,20H2,2-3H3,(H,21,22)/t18-/m0/s1
InChIKeyZTFMFPKYIBGCLG-SFHVURJKSA-N
XLogP2.09
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 70749985
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CID 97129057
2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide
CID 50959236
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
N-(3-phenylprop-2-ynyl)-N-prop-2-enylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 50961203
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91770336
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
(2R)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
CID 97156555
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
N-(6-bromo-1-phenylhex-1-yn-3-yl)-N-prop-2-enylacetamide
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CID 46988385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide?
The IUPAC name of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide (CID 97132419) is (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide.
What is the SMILES notation for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide?
The canonical SMILES for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide is C=CCN(CC#Cc1ccccc1)C(=O)[C@@H](N)c1c(C)n[nH]c1C.
What is the InChIKey of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide?
The InChIKey is ZTFMFPKYIBGCLG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N4O/c1-4-12-23(13-8-11-16-9-6-5-7-10-16)19(24)18(20)17-14(2)21-22-15(17)3/h4-7,9-10,18H,1,12-13,20H2,2-3H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide?
(2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide has a molecular weight of 322.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-phenylprop-2-ynyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 97132419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).