(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide

C17H23N5O2 — CID 95297420

IUPAC(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCCN(C)[C@@H](C(=O)Nc1cnn(CC(=O)NC)c1)c1ccccc1
InChIInChI=1S/C17H23N5O2/c1-4-21(3)16(13-8-6-5-7-9-13)17(24)20-14-10-19-22(11-14)12-15(23)18-2/h5-11,16H,4,12H2,1-3H3,(H,18,23)(H,20,24)/t16-/m1/s1
InChIKeyJNNSUMDCHNAKMN-MRXNPFEDSA-N
MW329.40 g/mol
LogP1.26
Rot. Bonds7

About (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide

(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide (PubChem CID 95297420) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
PubChem CID95297420
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
SMILESCCN(C)[C@@H](C(=O)Nc1cnn(CC(=O)NC)c1)c1ccccc1
InChIInChI=1S/C17H23N5O2/c1-4-21(3)16(13-8-6-5-7-9-13)17(24)20-14-10-19-22(11-14)12-15(23)18-2/h5-11,16H,4,12H2,1-3H3,(H,18,23)(H,20,24)/t16-/m1/s1
InChIKeyJNNSUMDCHNAKMN-MRXNPFEDSA-N
XLogP1.26
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
N-methyl-2-[4-[(2-methyl-1-phenylpropyl)amino]pyrazol-1-yl]acetamide
CID 60932420
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
CID 95292032
2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide
CID 119333449
3-amino-N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]pyrazol-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954060
N-(1-ethylpyrazol-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107022931
2-amino-N-[1-(2-methylpropyl)pyrazol-4-yl]-2-phenylacetamide
CID 119338210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide (CID 95297420) is (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide is CCN(C)[C@@H](C(=O)Nc1cnn(CC(=O)NC)c1)c1ccccc1.
What is the InChIKey of (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
The InChIKey is JNNSUMDCHNAKMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-21(3)16(13-8-6-5-7-9-13)17(24)20-14-10-19-22(11-14)12-15(23)18-2/h5-11,16H,4,12H2,1-3H3,(H,18,23)(H,20,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide?
(2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide has a molecular weight of 329.40 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethyl(methyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylacetamide is sourced from PubChem (CID 95297420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).