3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

C20H15Cl2N5O — CID 19513630

IUPAC3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C20H15Cl2N5O/c21-16-6-5-14(10-17(16)22)18-11-19(26-25-18)20(28)24-15-4-1-3-13(9-15)12-27-8-2-7-23-27/h1-11H,12H2,(H,24,28)(H,25,26)
InChIKeyWKDXSWVDYDAISM-UHFFFAOYSA-N
MW412.28 g/mol
LogP4.88
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19513630) has the molecular formula C20H15Cl2N5O and a molecular weight of 412.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19513630
Molecular FormulaC20H15Cl2N5O
Molecular Weight412.28 g/mol
Exact Mass411.07
IUPAC Name3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C20H15Cl2N5O/c21-16-6-5-14(10-17(16)22)18-11-19(26-25-18)20(28)24-15-4-1-3-13(9-15)12-27-8-2-7-23-27/h1-11H,12H2,(H,24,28)(H,25,26)
InChIKeyWKDXSWVDYDAISM-UHFFFAOYSA-N
XLogP4.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513655
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19399053
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513614
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
3-(3,4-dichlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19513682
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
3-(1,3-benzodioxol-5-yl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513484
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 19513630) is 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WKDXSWVDYDAISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O/c21-16-6-5-14(10-17(16)22)18-11-19(26-25-18)20(28)24-15-4-1-3-13(9-15)12-27-8-2-7-23-27/h1-11H,12H2,(H,24,28)(H,25,26).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 412.28 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).