N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide

C14H13N3O2 — CID 86994452

IUPACN-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3o2)cn1
InChIInChI=1S/C14H13N3O2/c1-17-9-11(7-16-17)14(18)15-8-12-6-10-4-2-3-5-13(10)19-12/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyFUUJBVPEWMFQTN-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide

N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 86994452) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
PubChem CID86994452
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cc3ccccc3o2)cn1
InChIInChI=1S/C14H13N3O2/c1-17-9-11(7-16-17)14(18)15-8-12-6-10-4-2-3-5-13(10)19-12/h2-7,9H,8H2,1H3,(H,15,18)
InChIKeyFUUJBVPEWMFQTN-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

1-methyl-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]pyrazole-4-carboxamide
CID 138042455
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110475867
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
CID 87018603
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 122275231
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
(3R,4S)-N-[2-(1-benzofuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120934549
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
(4S,5R)-4-[(1-benzofuran-2-ylmethylamino)methyl]-1-methyl-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129005018

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide (CID 86994452) is N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cc3ccccc3o2)cn1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FUUJBVPEWMFQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17-9-11(7-16-17)14(18)15-8-12-6-10-4-2-3-5-13(10)19-12/h2-7,9H,8H2,1H3,(H,15,18).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide?
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-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-2-ylmethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86994452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).