5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide

C14H10Cl2N4O2 — CID 19578909

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C14H10Cl2N4O2/c15-9-6-18-20(7-9)8-10-3-4-12(22-10)14(21)19-11-2-1-5-17-13(11)16/h1-7H,8H2,(H,19,21)
InChIKeyJIMXZNDMUDDANM-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.48
Rot. Bonds4

About 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide

5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide (PubChem CID 19578909) has the molecular formula C14H10Cl2N4O2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
PubChem CID19578909
Molecular FormulaC14H10Cl2N4O2
Molecular Weight337.17 g/mol
Exact Mass336.02
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C14H10Cl2N4O2/c15-9-6-18-20(7-9)8-10-3-4-12(22-10)14(21)19-11-2-1-5-17-13(11)16/h1-7H,8H2,(H,19,21)
InChIKeyJIMXZNDMUDDANM-UHFFFAOYSA-N
XLogP3.48
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 86795032
5-(3-chlorophenyl)-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 17099107
5-[(3-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 19446183
5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 29096511
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide
CID 35523435
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 44825207
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 98510415
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide (CID 19578909) is 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide is O=C(Nc1cccnc1Cl)c1ccc(Cn2cc(Cl)cn2)o1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide?
The InChIKey is JIMXZNDMUDDANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2/c15-9-6-18-20(7-9)8-10-3-4-12(22-10)14(21)19-11-2-1-5-17-13(11)16/h1-7H,8H2,(H,19,21).
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide?
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide has a molecular weight of 337.17 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 19578909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).