N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

C15H12ClN3O2 — CID 110682329

IUPACN-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccco2)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2/c1-9-13(14(19-18-9)12-3-2-8-21-12)15(20)17-11-6-4-10(16)5-7-11/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyVGIIKJDSODKBBD-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.88
Rot. Bonds3

About N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 110682329) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID110682329
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC NameN-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccco2)c1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2/c1-9-13(14(19-18-9)12-3-2-8-21-12)15(20)17-11-6-4-10(16)5-7-11/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyVGIIKJDSODKBBD-UHFFFAOYSA-N
XLogP3.88
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 110682346
3-(furan-2-yl)-5-methyl-N-(2-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110682318
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 110682270
N-(3-chlorophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682474
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
[3-(furan-2-yl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54851051
ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
CID 110682300
2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 4656022
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682415
5-(furan-2-yl)-N-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 146153638

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 110682329) is N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccco2)c1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is VGIIKJDSODKBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-13(14(19-18-9)12-3-2-8-21-12)15(20)17-11-6-4-10(16)5-7-11/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110682329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).