N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C16H14ClN3O2 — CID 19463007

IUPACN-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H14ClN3O2/c1-11-3-4-12(17)9-14(11)19-16(21)15-6-5-13(22-15)10-20-8-2-7-18-20/h2-9H,10H2,1H3,(H,19,21)
InChIKeyJYGOYBOYGCHOAP-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.74
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19463007) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19463007
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C16H14ClN3O2/c1-11-3-4-12(17)9-14(11)19-16(21)15-6-5-13(22-15)10-20-8-2-7-18-20/h2-9H,10H2,1H3,(H,19,21)
InChIKeyJYGOYBOYGCHOAP-UHFFFAOYSA-N
XLogP3.74
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463215
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 35334539
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463169
N-(2-cyano-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463192
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19407842
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19285356
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19463007) is N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is JYGOYBOYGCHOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-11-3-4-12(17)9-14(11)19-16(21)15-6-5-13(22-15)10-20-8-2-7-18-20/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19463007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).