N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide

C14H13N3O2 — CID 136525744

IUPACN-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1coc2ccccc12
InChIInChI=1S/C14H13N3O2/c1-17-12(6-7-16-17)14(18)15-8-10-9-19-13-5-3-2-4-11(10)13/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyRQEVKWJJQXRPEE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide

N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide (PubChem CID 136525744) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide
PubChem CID136525744
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1coc2ccccc12
InChIInChI=1S/C14H13N3O2/c1-17-12(6-7-16-17)14(18)15-8-10-9-19-13-5-3-2-4-11(10)13/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyRQEVKWJJQXRPEE-UHFFFAOYSA-N
XLogP2.10
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 146132619
N-[(4-hydroxyphenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 113228891
2-methyl-N-(1H-pyrrol-3-ylmethyl)pyrazole-3-carboxamide
CID 106385466
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 110467140
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 92566290

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide (CID 136525744) is N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is RQEVKWJJQXRPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17-12(6-7-16-17)14(18)15-8-10-9-19-13-5-3-2-4-11(10)13/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide?
N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136525744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).