3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

C16H14ClN3O3 — CID 46948510

IUPAC3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccco2)[nH]n1
InChIInChI=1S/C16H14ClN3O3/c1-22-15-5-4-10(17)7-12(15)13-8-14(20-19-13)16(21)18-9-11-3-2-6-23-11/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyRGXUMNUNUVLEEA-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.26
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46948510) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID46948510
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccco2)[nH]n1
InChIInChI=1S/C16H14ClN3O3/c1-22-15-5-4-10(17)7-12(15)13-8-14(20-19-13)16(21)18-9-11-3-2-6-23-11/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyRGXUMNUNUVLEEA-UHFFFAOYSA-N
XLogP3.26
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 46948510) is 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is COc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccco2)[nH]n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RGXUMNUNUVLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-22-15-5-4-10(17)7-12(15)13-8-14(20-19-13)16(21)18-9-11-3-2-6-23-11/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 331.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).