5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide

C11H12ClN3O2 — CID 104693705

IUPAC5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H12ClN3O2/c1-15-8(5-7-14-15)4-6-13-11(16)9-2-3-10(12)17-9/h2-3,5,7H,4,6H2,1H3,(H,13,16)
InChIKeyXFIFCPNVDUJCFX-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.64
Rot. Bonds4

About 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide

5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 104693705) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
PubChem CID104693705
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H12ClN3O2/c1-15-8(5-7-14-15)4-6-13-11(16)9-2-3-10(12)17-9/h2-3,5,7H,4,6H2,1H3,(H,13,16)
InChIKeyXFIFCPNVDUJCFX-UHFFFAOYSA-N
XLogP1.64
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 103005665
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazine-3-carboxamide
CID 103005660
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 104693703
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
3-chloro-6-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011360
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 104694698
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide (CID 104693705) is 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide is Cn1nccc1CCNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is XFIFCPNVDUJCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-15-8(5-7-14-15)4-6-13-11(16)9-2-3-10(12)17-9/h2-3,5,7H,4,6H2,1H3,(H,13,16).
What are the key properties of 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 253.69 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 104693705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).