N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide

C17H14Cl2N4O — CID 5302832

IUPACN-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H14Cl2N4O/c1-11-7-16(21-17(24)12-3-2-6-20-9-12)23(22-11)10-13-4-5-14(18)8-15(13)19/h2-9H,10H2,1H3,(H,21,24)
InChIKeyGAVUMVNRHRXKMY-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.19
Rot. Bonds4

About N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 5302832) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
PubChem CID5302832
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H14Cl2N4O/c1-11-7-16(21-17(24)12-3-2-6-20-9-12)23(22-11)10-13-4-5-14(18)8-15(13)19/h2-9H,10H2,1H3,(H,21,24)
InChIKeyGAVUMVNRHRXKMY-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 108756056
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
CID 39853354
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-cyanobenzamide
CID 155916587
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839440
N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 99817832
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
CID 113015856
N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 155909032
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19337316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide (CID 5302832) is N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2)n(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is GAVUMVNRHRXKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-11-7-16(21-17(24)12-3-2-6-20-9-12)23(22-11)10-13-4-5-14(18)8-15(13)19/h2-9H,10H2,1H3,(H,21,24).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 5302832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).