(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide

C17H23N5O2 — CID 95239242

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-4-12(2)18-16(23)13(3)19-17(24)20-15-10-11-22(21-15)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,18,23)(H2,19,20,21,24)/t12-,13-/m1/s1
InChIKeyQNHBAGWNOYMZCE-CHWSQXEVSA-N
MW329.40 g/mol
LogP2.30
Rot. Bonds6

About (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide (PubChem CID 95239242) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
PubChem CID95239242
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O2/c1-4-12(2)18-16(23)13(3)19-17(24)20-15-10-11-22(21-15)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,18,23)(H2,19,20,21,24)/t12-,13-/m1/s1
InChIKeyQNHBAGWNOYMZCE-CHWSQXEVSA-N
XLogP2.30
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
CID 95156985
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
2-amino-N-(1-phenylpyrazol-3-yl)pentanamide;hydrochloride
CID 119278205
(2S)-2-amino-4-methylsulfanyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 119278200
N-butan-2-yl-2-(1-phenylpyrazol-3-yl)oxyacetamide
CID 171133241
1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea
CID 51728018
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
methyl 3-(3,4-dimethoxyphenyl)-3-[(1-phenylpyrazol-3-yl)carbamoylamino]propanoate
CID 47032953
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547798

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide (CID 95239242) is (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
The InChIKey is QNHBAGWNOYMZCE-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-12(2)18-16(23)13(3)19-17(24)20-15-10-11-22(21-15)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,18,23)(H2,19,20,21,24)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide is sourced from PubChem (CID 95239242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).