N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C12H16N4O2 — CID 119498062

IUPACN-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(N)CCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H16N4O2/c1-8(13)4-5-14-12(17)10-7-9(15-16-10)11-3-2-6-18-11/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyMKZIWEJIJVOBKL-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.14
Rot. Bonds5

About N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 119498062) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID119498062
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(N)CCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C12H16N4O2/c1-8(13)4-5-14-12(17)10-7-9(15-16-10)11-3-2-6-18-11/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyMKZIWEJIJVOBKL-UHFFFAOYSA-N
XLogP1.14
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrazole-3-carboxamide
CID 111485372
N-[2-(2,6-difluorophenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 87036753
5-(furan-2-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrazole-3-carboxamide
CID 109380983
5-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 110908938
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 119498062) is N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CC(N)CCNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is MKZIWEJIJVOBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(13)4-5-14-12(17)10-7-9(15-16-10)11-3-2-6-18-11/h2-3,6-8H,4-5,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119498062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).