N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline

C17H19N3O — CID 43745442

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
SMILESCC(CCc1ccco1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H19N3O/c1-13(7-8-16-6-3-11-21-16)19-15-5-2-4-14(12-15)17-9-10-18-20-17/h2-6,9-13,19H,7-8H2,1H3,(H,18,20)
InChIKeyHIRMBLSSDRAQOP-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.10
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline

N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745442) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745442
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
SMILESCC(CCc1ccco1)Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H19N3O/c1-13(7-8-16-6-3-11-21-16)19-15-5-2-4-14(12-15)17-9-10-18-20-17/h2-6,9-13,19H,7-8H2,1H3,(H,18,20)
InChIKeyHIRMBLSSDRAQOP-UHFFFAOYSA-N
XLogP4.10
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-nonan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745382
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
3-ethynyl-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 43478753
N-[4-(furan-2-yl)butan-2-yl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601215
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
3-[4-(furan-2-yl)butan-2-ylamino]-N-methylbenzamide
CID 43478876
7-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 99640763
4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704722
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline (CID 43745442) is N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline is CC(CCc1ccco1)Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is HIRMBLSSDRAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13(7-8-16-6-3-11-21-16)19-15-5-2-4-14(12-15)17-9-10-18-20-17/h2-6,9-13,19H,7-8H2,1H3,(H,18,20).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline?
N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 281.36 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).