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

C10H11N3O2 — CID 1224571

IUPACN-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccco2)cn1
InChIInChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)
InChIKeyZPCCCCZFCHPBOS-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.94
Rot. Bonds3

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

N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 1224571) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID1224571
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccco2)cn1
InChIInChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)
InChIKeyZPCCCCZFCHPBOS-UHFFFAOYSA-N
XLogP0.94
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 1224571) is N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is Cn1cc(CNC(=O)c2ccco2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is ZPCCCCZFCHPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1224571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).