2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide

C16H21N5O2 — CID 119878696

IUPAC2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C16H21N5O2/c1-2-6-12(17)15(22)20-14(11-7-4-3-5-8-11)16(23)19-13-9-10-18-21-13/h3-5,7-10,12,14H,2,6,17H2,1H3,(H,20,22)(H2,18,19,21,23)
InChIKeyPXWCJEZRNIHETJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.33
Rot. Bonds7

About 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide

2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide (PubChem CID 119878696) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
PubChem CID119878696
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
SMILESCCCC(N)C(=O)NC(C(=O)Nc1ccn[nH]1)c1ccccc1
InChIInChI=1S/C16H21N5O2/c1-2-6-12(17)15(22)20-14(11-7-4-3-5-8-11)16(23)19-13-9-10-18-21-13/h3-5,7-10,12,14H,2,6,17H2,1H3,(H,20,22)(H2,18,19,21,23)
InChIKeyPXWCJEZRNIHETJ-UHFFFAOYSA-N
XLogP1.33
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151754
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
(2S)-2-[[(2S)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 103871030
(2S)-2-[[(2R)-2-aminopentanoyl]amino]-2-phenylacetic acid
CID 113342407
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
CID 122144672
methyl 2-(2-aminopentanoylamino)-2-phenylacetate
CID 62111189
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
2-propyl-N-(1H-pyrazol-5-yl)pentanamide
CID 115532341
2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
CID 119878715
2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
CID 124609043
2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 95282131
(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
CID 120646335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide (CID 119878696) is 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide is CCCC(N)C(=O)NC(C(=O)Nc1ccn[nH]1)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide?
The InChIKey is PXWCJEZRNIHETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-2-6-12(17)15(22)20-14(11-7-4-3-5-8-11)16(23)19-13-9-10-18-21-13/h3-5,7-10,12,14H,2,6,17H2,1H3,(H,20,22)(H2,18,19,21,23).
What are the key properties of 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide?
2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide has a molecular weight of 315.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide is sourced from PubChem (CID 119878696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).