(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide

C13H15ClN4O — CID 97347601

IUPAC(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESC[C@@H](Nc1cnn(C)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-9(16-12-7-15-18(2)8-12)13(19)17-11-5-3-4-10(14)6-11/h3-9,16H,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyGCINOCYQELSWCA-SECBINFHSA-N
MW278.74 g/mol
LogP2.51
Rot. Bonds4

About (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide

(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide (PubChem CID 97347601) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
PubChem CID97347601
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESC[C@@H](Nc1cnn(C)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-9(16-12-7-15-18(2)8-12)13(19)17-11-5-3-4-10(14)6-11/h3-9,16H,1-2H3,(H,17,19)/t9-/m1/s1
InChIKeyGCINOCYQELSWCA-SECBINFHSA-N
XLogP2.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-(3-acetylphenyl)-2-[(1-tert-butylpyrazol-4-yl)amino]propanamide
CID 86791882
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 75507032
(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 51969626
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
1-(3-chlorophenyl)-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 96508358
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide (CID 97347601) is (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide is C[C@@H](Nc1cnn(C)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The InChIKey is GCINOCYQELSWCA-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9(16-12-7-15-18(2)8-12)13(19)17-11-5-3-4-10(14)6-11/h3-9,16H,1-2H3,(H,17,19)/t9-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide?
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide has a molecular weight of 278.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 97347601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).