N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide

C17H14Cl2N4O — CID 99817832

IUPACN-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESC[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cccnc1
InChIInChI=1S/C17H14Cl2N4O/c1-11(14-9-13(18)4-5-15(14)19)23-16(6-8-21-23)22-17(24)12-3-2-7-20-10-12/h2-11H,1H3,(H,22,24)/t11-/m0/s1
InChIKeyMIMNQYXLFPFBCW-NSHDSACASA-N
MW361.23 g/mol
LogP4.45
Rot. Bonds4

About N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide

N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 99817832) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID99817832
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC NameN-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESC[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cccnc1
InChIInChI=1S/C17H14Cl2N4O/c1-11(14-9-13(18)4-5-15(14)19)23-16(6-8-21-23)22-17(24)12-3-2-7-20-10-12/h2-11H,1H3,(H,22,24)/t11-/m0/s1
InChIKeyMIMNQYXLFPFBCW-NSHDSACASA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 5302832
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 99833805
N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 25375251
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 108756056
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889
N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 25239194
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 39819250
N-(2-amino-4,6-dichlorophenyl)pyridine-3-carboxamide
CID 16776804

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide (CID 99817832) is N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide is C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is MIMNQYXLFPFBCW-NSHDSACASA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-11(14-9-13(18)4-5-15(14)19)23-16(6-8-21-23)22-17(24)12-3-2-7-20-10-12/h2-11H,1H3,(H,22,24)/t11-/m0/s1.
What are the key properties of N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 361.23 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-(2,5-dichlorophenyl)ethyl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 99817832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).