4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide

C11H12ClN3O2 — CID 973644

IUPAC4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)NCc1ccco1
InChIInChI=1S/C11H12ClN3O2/c1-2-15-10(9(12)7-14-15)11(16)13-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H,13,16)
InChIKeyHNRRWRFQCFXMNV-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.08
Rot. Bonds4

About 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide

4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 973644) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID973644
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)NCc1ccco1
InChIInChI=1S/C11H12ClN3O2/c1-2-15-10(9(12)7-14-15)11(16)13-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H,13,16)
InChIKeyHNRRWRFQCFXMNV-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 712057
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
1-[(4-Chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
CID 842824
1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
CID 842915
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
1-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-(2-furoyl)piperazine
CID 4605259
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-furylmethyl)acetamide
CID 2871628
1-[(4-Chloro-2,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
CID 842959
N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 1224571
4,5-dichloro-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
CID 823288
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 647271
4-bromo-1-ethyl-N-(2-furylmethyl)-1H-pyrazole-3-carboxamide
CID 753334

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide (CID 973644) is 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)NCc1ccco1.
What is the InChIKey of 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is HNRRWRFQCFXMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-2-15-10(9(12)7-14-15)11(16)13-6-8-4-3-5-17-8/h3-5,7H,2,6H2,1H3,(H,13,16).
What are the key properties of 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 253.69 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 973644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).