N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide

C13H17N3O2 — CID 19293679

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-10-9-11(2)16(15-10)7-4-6-14-13(17)12-5-3-8-18-12/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,17)
InChIKeyUSWJTGFTHAACQK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.91
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide (PubChem CID 19293679) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
PubChem CID19293679
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-10-9-11(2)16(15-10)7-4-6-14-13(17)12-5-3-8-18-12/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,17)
InChIKeyUSWJTGFTHAACQK-UHFFFAOYSA-N
XLogP1.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
methyl 4-[3-(2-furoylamino)-5-methyl-1H-pyrazol-1-yl]butanoate
CID 5303481
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 25163116
(4-Bromo-3,5-dimethylpyrazol-1-yl)-(furan-2-yl)methanone
CID 672849
N-(2-furylmethyl)-5-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-furamide
CID 1091759
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
N-[(1,3-dimethylpyrazol-4-yl)methyl](5-bromo(2-furyl))carboxamide
CID 660918

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide (CID 19293679) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccco2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
The InChIKey is USWJTGFTHAACQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-9-11(2)16(15-10)7-4-6-14-13(17)12-5-3-8-18-12/h3,5,8-9H,4,6-7H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 19293679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).