(2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide

C17H24N4O — CID 97069870

IUPAC(2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide
SMILESCC(C)n1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H24N4O/c1-12(2)21-11-15(10-18-21)13(3)19-14(4)17(22)20-16-8-6-5-7-9-16/h5-14,19H,1-4H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyDUDUJDYZJDFNNS-ZIAGYGMSSA-N
MW300.41 g/mol
LogP3.14
Rot. Bonds6

About (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide

(2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide (PubChem CID 97069870) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide
PubChem CID97069870
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide
SMILESCC(C)n1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H24N4O/c1-12(2)21-11-15(10-18-21)13(3)19-14(4)17(22)20-16-8-6-5-7-9-16/h5-14,19H,1-4H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyDUDUJDYZJDFNNS-ZIAGYGMSSA-N
XLogP3.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640
2-(4-aminopyrazol-1-yl)-N-phenylpropanamide
CID 43116751
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
(2S)-1,1-difluoro-4-phenyl-N-[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]butan-2-amine
CID 97341684
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515

Frequently Asked Questions

What is the IUPAC name of (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide (CID 97069870) is (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide is CC(C)n1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2)cn1.
What is the InChIKey of (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide?
The InChIKey is DUDUJDYZJDFNNS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)21-11-15(10-18-21)13(3)19-14(4)17(22)20-16-8-6-5-7-9-16/h5-14,19H,1-4H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide?
(2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide has a molecular weight of 300.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-phenyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]propanamide is sourced from PubChem (CID 97069870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).