5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C17H18ClN5O — CID 24612715

IUPAC5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H18ClN5O/c1-12-15(16(18)22(2)21-12)17(24)19-10-13-6-3-4-7-14(13)11-23-9-5-8-20-23/h3-9H,10-11H2,1-2H3,(H,19,24)
InChIKeyWROORXKNVCROQA-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 24612715) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID24612715
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C17H18ClN5O/c1-12-15(16(18)22(2)21-12)17(24)19-10-13-6-3-4-7-14(13)11-23-9-5-8-20-23/h3-9H,10-11H2,1-2H3,(H,19,24)
InChIKeyWROORXKNVCROQA-UHFFFAOYSA-N
XLogP2.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55494360
1-methyl-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 156585216
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
N-[(2-chlorophenyl)methyl]-1,3-dimethyl-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 136533220
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
1-[(2-chlorophenyl)methyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34584858
5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 24610858
1-butyl-5-chloro-N-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 9209718
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 24615848
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41419379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 24612715) is 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is WROORXKNVCROQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-12-15(16(18)22(2)21-12)17(24)19-10-13-6-3-4-7-14(13)11-23-9-5-8-20-23/h3-9H,10-11H2,1-2H3,(H,19,24).
What are the key properties of 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 343.82 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24612715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).