3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide

C11H13N3O2 — CID 103855919

IUPAC3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C11H13N3O2/c1-7-3-4-16-10(7)11(15)14-8(2)9-5-12-13-6-9/h3-6,8H,1-2H3,(H,12,13)(H,14,15)
InChIKeyNKMMGAPDHAHQNU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.80
Rot. Bonds3

About 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 103855919) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID103855919
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C11H13N3O2/c1-7-3-4-16-10(7)11(15)14-8(2)9-5-12-13-6-9/h3-6,8H,1-2H3,(H,12,13)(H,14,15)
InChIKeyNKMMGAPDHAHQNU-UHFFFAOYSA-N
XLogP1.80
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
3,6-dimethyl-2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]benzoic acid
CID 106208660
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 113339601
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 146084407
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855780
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide (CID 103855919) is 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide is Cc1ccoc1C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is NKMMGAPDHAHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-3-4-16-10(7)11(15)14-8(2)9-5-12-13-6-9/h3-6,8H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide?
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 103855919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).