(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide

C18H20ClN5O — CID 39854346

IUPAC(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@H](C)Cn2cc(Cl)cn2)n(Cc2ccccc2)n1
InChIInChI=1S/C18H20ClN5O/c1-13(10-23-12-16(19)9-20-23)18(25)21-17-8-14(2)22-24(17)11-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyOIQHCUMFNCQVNR-CYBMUJFWSA-N
MW357.85 g/mol
LogP3.36
Rot. Bonds6

About (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide

(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide (PubChem CID 39854346) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
PubChem CID39854346
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@H](C)Cn2cc(Cl)cn2)n(Cc2ccccc2)n1
InChIInChI=1S/C18H20ClN5O/c1-13(10-23-12-16(19)9-20-23)18(25)21-17-8-14(2)22-24(17)11-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyOIQHCUMFNCQVNR-CYBMUJFWSA-N
XLogP3.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19570438
3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19570481
3-(4-chloropyrazol-1-yl)-2-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19570464
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3-chlorophenoxy)propanamide
CID 45154155
3-(4-chloropyrazol-1-yl)-2-methyl-N-(1-phenylpropyl)propanamide
CID 19570387
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide
CID 19564336
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325
3-(4-chloropyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19570296
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 19570526
3-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075415
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide (CID 39854346) is (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide is Cc1cc(NC(=O)[C@H](C)Cn2cc(Cl)cn2)n(Cc2ccccc2)n1.
What is the InChIKey of (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide?
The InChIKey is OIQHCUMFNCQVNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-13(10-23-12-16(19)9-20-23)18(25)21-17-8-14(2)22-24(17)11-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide?
(2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide has a molecular weight of 357.85 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-chloropyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 39854346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).