(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid

C14H14ClN3O3 — CID 91645010

IUPAC(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H14ClN3O3/c1-8-11(13(19)16-9(2)14(20)21)12(15)18(17-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,16,19)(H,20,21)/t9-/m1/s1
InChIKeyWLAWJYOIISCSAZ-SECBINFHSA-N
MW307.74 g/mol
LogP2.04
Rot. Bonds4

About (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid

(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 91645010) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID91645010
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H14ClN3O3/c1-8-11(13(19)16-9(2)14(20)21)12(15)18(17-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,16,19)(H,20,21)/t9-/m1/s1
InChIKeyWLAWJYOIISCSAZ-SECBINFHSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
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3-(2-bromophenyl)-3-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 118727470
N-(4-tert-butylphenyl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26102988
5-chloro-N-(3,4-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
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5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 111446420
5-chloro-N-(4-chloro-2-methylphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26114612
5-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78776531
(2R)-2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119243799
5-chloro-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid (CID 91645010) is (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is WLAWJYOIISCSAZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-8-11(13(19)16-9(2)14(20)21)12(15)18(17-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H,16,19)(H,20,21)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid?
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 307.74 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 91645010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).