N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C14H11Cl2N5O — CID 19264492

IUPACN-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H11Cl2N5O/c15-11-3-2-10(8-12(11)16)18-14(22)13-4-7-21(19-13)9-20-6-1-5-17-20/h1-8H,9H2,(H,18,22)
InChIKeyLSSAWKRBAOLZDR-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.14
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19264492) has the molecular formula C14H11Cl2N5O and a molecular weight of 336.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID19264492
Molecular FormulaC14H11Cl2N5O
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC NameN-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(Cn2cccn2)n1
InChIInChI=1S/C14H11Cl2N5O/c15-11-3-2-10(8-12(11)16)18-14(22)13-4-7-21(19-13)9-20-6-1-5-17-20/h1-8H,9H2,(H,18,22)
InChIKeyLSSAWKRBAOLZDR-UHFFFAOYSA-N
XLogP3.14
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264469
N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
1-(pyrazol-1-ylmethyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19264581
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264643
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
N-(3,4-dichlorophenyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275845
N,1-dimethyl-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19264717

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 19264492) is N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(Cn2cccn2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is LSSAWKRBAOLZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5O/c15-11-3-2-10(8-12(11)16)18-14(22)13-4-7-21(19-13)9-20-6-1-5-17-20/h1-8H,9H2,(H,18,22).
What are the key properties of N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 336.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).