N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide

C16H16ClN5O — CID 136533220

IUPACN-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(-n2cccn2)c1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClN5O/c1-11-14(16(21(2)20-11)22-9-5-8-19-22)15(23)18-10-12-6-3-4-7-13(12)17/h3-9H,10H2,1-2H3,(H,18,23)
InChIKeyUEVMCNNIZCCFSB-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.50
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide (PubChem CID 136533220) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide
PubChem CID136533220
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(-n2cccn2)c1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H16ClN5O/c1-11-14(16(21(2)20-11)22-9-5-8-19-22)15(23)18-10-12-6-3-4-7-13(12)17/h3-9H,10H2,1-2H3,(H,18,23)
InChIKeyUEVMCNNIZCCFSB-UHFFFAOYSA-N
XLogP2.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24612715
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55494360
4-amino-N-[(2-bromophenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123415
(E)-N-[(2-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 26692075
N-[(2-chlorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691865
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119176931
N-[(2-chlorophenyl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47000839
N-[(2-chlorophenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851429

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide (CID 136533220) is N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide is Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
The InChIKey is UEVMCNNIZCCFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-11-14(16(21(2)20-11)22-9-5-8-19-22)15(23)18-10-12-6-3-4-7-13(12)17/h3-9H,10H2,1-2H3,(H,18,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 136533220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).