N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide

C15H13Cl2N5O2 — CID 90177496

IUPACN-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C15H13Cl2N5O2/c1-15(2,7-18)21-13(23)9-5-8(16)6-10(17)12(9)20-14(24)11-3-4-19-22-11/h3-6H,1-2H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyNXIGVCUQPWBQPL-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.00
Rot. Bonds4

About N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide

N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 90177496) has the molecular formula C15H13Cl2N5O2 and a molecular weight of 366.21 g/mol. Its IUPAC name is N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID90177496
Molecular FormulaC15H13Cl2N5O2
Molecular Weight366.21 g/mol
Exact Mass365.04
IUPAC NameN-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccn[nH]1
InChIInChI=1S/C15H13Cl2N5O2/c1-15(2,7-18)21-13(23)9-5-8(16)6-10(17)12(9)20-14(24)11-3-4-19-22-11/h3-6H,1-2H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyNXIGVCUQPWBQPL-UHFFFAOYSA-N
XLogP3.00
TPSA110.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 122583229
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
2-chloro-N-(2-cyanopropan-2-yl)-4-nitrobenzamide
CID 520009
2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
CID 103755271
N-(5-bromo-2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 55208813
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 16678665
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid
CID 43331485
N-[4-cyano-2-(1-cyclopropylethylcarbamoyl)-6-methylphenyl]-1H-pyrazole-5-carboxamide
CID 69215768
N-[2-(4-chlorophenyl)-2-ethylbutyl]-1H-pyrazole-5-carboxamide
CID 60621598
3-methyl-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 43358363

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide (CID 90177496) is N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide is CC(C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NXIGVCUQPWBQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O2/c1-15(2,7-18)21-13(23)9-5-8(16)6-10(17)12(9)20-14(24)11-3-4-19-22-11/h3-6H,1-2H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide?
N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 366.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90177496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).