2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide

C22H20ClN5O — CID 19520601

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H20ClN5O/c1-16-20(23)13-25-27(16)15-21(29)24-12-18-14-28(19-10-6-3-7-11-19)26-22(18)17-8-4-2-5-9-17/h2-11,13-14H,12,15H2,1H3,(H,24,29)
InChIKeyQXZYDSZHLPFBDB-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.01
Rot. Bonds6

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide (PubChem CID 19520601) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
PubChem CID19520601
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H20ClN5O/c1-16-20(23)13-25-27(16)15-21(29)24-12-18-14-28(19-10-6-3-7-11-19)26-22(18)17-8-4-2-5-9-17/h2-11,13-14H,12,15H2,1H3,(H,24,29)
InChIKeyQXZYDSZHLPFBDB-UHFFFAOYSA-N
XLogP4.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19290323
2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 19503786
2-(4-chloropyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 19290303
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27022306
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 25485657
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19330844
N-benzyl-3-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46295888
5-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide
CID 31340751

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide (CID 19520601) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide is Cc1c(Cl)cnn1CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is QXZYDSZHLPFBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-16-20(23)13-25-27(16)15-21(29)24-12-18-14-28(19-10-6-3-7-11-19)26-22(18)17-8-4-2-5-9-17/h2-11,13-14H,12,15H2,1H3,(H,24,29).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 405.89 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 19520601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).