N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide

C15H14ClN5O — CID 19397538

IUPACN-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H14ClN5O/c16-13-6-17-21(9-13)11-15(22)19-14-7-18-20(10-14)8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,19,22)
InChIKeyNOXPBBCROXCARL-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.42
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide

N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide (PubChem CID 19397538) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
PubChem CID19397538
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H14ClN5O/c16-13-6-17-21(9-13)11-15(22)19-14-7-18-20(10-14)8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,19,22)
InChIKeyNOXPBBCROXCARL-UHFFFAOYSA-N
XLogP2.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524916
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
4-[3-[(4-chloropyrazol-1-yl)methyl]anilino]-4-oxobutanoic acid
CID 51699136
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19410011
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818
2-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19525078
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19412651
1-(4-chloropyrazol-1-yl)-3-phenylpropan-2-one
CID 14882325
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide (CID 19397538) is N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide is O=C(Cn1cc(Cl)cn1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide?
The InChIKey is NOXPBBCROXCARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-13-6-17-21(9-13)11-15(22)19-14-7-18-20(10-14)8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,19,22).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide has a molecular weight of 315.76 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide is sourced from PubChem (CID 19397538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).