N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide

C16H16ClN5O — CID 4773521

IUPACN-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H16ClN5O/c1-12-14(17)10-22(19-12)11-16(23)18-15-7-8-21(20-15)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,18,20,23)
InChIKeyMENYGPKBSLCGPC-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.73
Rot. Bonds5

About N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide

N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide (PubChem CID 4773521) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
PubChem CID4773521
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1Cl
InChIInChI=1S/C16H16ClN5O/c1-12-14(17)10-22(19-12)11-16(23)18-15-7-8-21(20-15)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,18,20,23)
InChIKeyMENYGPKBSLCGPC-UHFFFAOYSA-N
XLogP2.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19518288
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 19284549
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19521100
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylpyrazol-1-yl)ethanone
CID 19289275
N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
CID 46995316
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19403930
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520712

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide (CID 4773521) is N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)cc1Cl.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide?
The InChIKey is MENYGPKBSLCGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-12-14(17)10-22(19-12)11-16(23)18-15-7-8-21(20-15)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,18,20,23).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide?
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 4773521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).