5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

C10H10ClN3O2 — CID 61021663

IUPAC5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H10ClN3O2/c1-6-7(5-13-14-6)4-12-10(15)8-2-3-9(11)16-8/h2-3,5H,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyGGDJGPBLXMXVMR-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.89
Rot. Bonds3

About 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 61021663) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID61021663
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H10ClN3O2/c1-6-7(5-13-14-6)4-12-10(15)8-2-3-9(11)16-8/h2-3,5H,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyGGDJGPBLXMXVMR-UHFFFAOYSA-N
XLogP1.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide (CID 61021663) is 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is GGDJGPBLXMXVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-6-7(5-13-14-6)4-12-10(15)8-2-3-9(11)16-8/h2-3,5H,4H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 239.66 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 61021663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).