4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

C11H11Cl2N3O2 — CID 823288

IUPAC4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccco2)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-2-16-10(13)8(12)9(15-16)11(17)14-6-7-4-3-5-18-7/h3-5H,2,6H2,1H3,(H,14,17)
InChIKeyKQYHGNYDHRYHHP-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.73
Rot. Bonds4

About 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 823288) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID823288
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCc2ccco2)c(Cl)c1Cl
InChIInChI=1S/C11H11Cl2N3O2/c1-2-16-10(13)8(12)9(15-16)11(17)14-6-7-4-3-5-18-7/h3-5H,2,6H2,1H3,(H,14,17)
InChIKeyKQYHGNYDHRYHHP-UHFFFAOYSA-N
XLogP2.73
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
1-[(4-Chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-3-(furan-2-ylmethyl)thiourea
CID 842824
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 1100801
1-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-(2-furoyl)piperazine
CID 4605259
1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 2563157
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-[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
2-(4-Chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-furan-2-ylmethyl-acetamide
CID 796217

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 823288) is 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCn1nc(C(=O)NCc2ccco2)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is KQYHGNYDHRYHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-2-16-10(13)8(12)9(15-16)11(17)14-6-7-4-3-5-18-7/h3-5H,2,6H2,1H3,(H,14,17).
What are the key properties of 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?
4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 288.13 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 823288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).