3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide

C20H14Cl3N5O — CID 19399053

IUPAC3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H14Cl3N5O/c21-14-4-2-13(3-5-14)17-10-18(26-25-17)20(29)24-19-7-8-28(27-19)11-12-1-6-15(22)16(23)9-12/h1-10H,11H2,(H,25,26)(H,24,27,29)
InChIKeyUNAIEORGOKMWRU-UHFFFAOYSA-N
MW446.73 g/mol
LogP5.53
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19399053) has the molecular formula C20H14Cl3N5O and a molecular weight of 446.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID19399053
Molecular FormulaC20H14Cl3N5O
Molecular Weight446.73 g/mol
Exact Mass445.03
IUPAC Name3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H14Cl3N5O/c21-14-4-2-13(3-5-14)17-10-18(26-25-17)20(29)24-19-7-8-28(27-19)11-12-1-6-15(22)16(23)9-12/h1-10H,11H2,(H,25,26)(H,24,27,29)
InChIKeyUNAIEORGOKMWRU-UHFFFAOYSA-N
XLogP5.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.73
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19509499
3-(2,4-dichlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19284710
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508875
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509493
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513655
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
3-(3,4-dichlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19513682
3-(3,4-dichlorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19513630
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide
CID 19398838
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19398875

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide (CID 19399053) is 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is UNAIEORGOKMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N5O/c21-14-4-2-13(3-5-14)17-10-18(26-25-17)20(29)24-19-7-8-28(27-19)11-12-1-6-15(22)16(23)9-12/h1-10H,11H2,(H,25,26)(H,24,27,29).
What are the key properties of 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 446.73 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19399053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).