N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

C16H15N3O2 — CID 19346357

IUPACN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2ccco2)cn1
InChIInChI=1S/C16H15N3O2/c1-12-5-2-3-6-13(12)10-19-11-14(9-17-19)18-16(20)15-7-4-8-21-15/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyLHCXHPNZCKVMOY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.09
Rot. Bonds4

About N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19346357) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID19346357
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2ccco2)cn1
InChIInChI=1S/C16H15N3O2/c1-12-5-2-3-6-13(12)10-19-11-14(9-17-19)18-16(20)15-7-4-8-21-15/h2-9,11H,10H2,1H3,(H,18,20)
InChIKeyLHCXHPNZCKVMOY-UHFFFAOYSA-N
XLogP3.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346457
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
5-[(3,5-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346348
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450787
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19346343
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19346357) is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is Cc1ccccc1Cn1cc(NC(=O)c2ccco2)cn1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is LHCXHPNZCKVMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-5-2-3-6-13(12)10-19-11-14(9-17-19)18-16(20)15-7-4-8-21-15/h2-9,11H,10H2,1H3,(H,18,20).
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19346357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).