1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine

C17H19N3O — CID 63086183

IUPAC1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine
SMILESCC(Cc1ccco1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-14(10-17-8-5-9-21-17)19-16-11-18-20(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14,19H,10,12H2,1H3
InChIKeyDCNKJVOEZKGDCE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.57
Rot. Bonds6

About 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine

1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine (PubChem CID 63086183) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine
PubChem CID63086183
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine
SMILESCC(Cc1ccco1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-14(10-17-8-5-9-21-17)19-16-11-18-20(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14,19H,10,12H2,1H3
InChIKeyDCNKJVOEZKGDCE-UHFFFAOYSA-N
XLogP3.57
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 106757614
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
2-[4-[4-(furan-2-yl)butan-2-ylamino]pyrazol-1-yl]acetamide
CID 43695320
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81391965
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
CID 75507073
N-(1-benzylpyrazol-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55946936
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 51683296
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine (CID 63086183) is 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine is CC(Cc1ccco1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine?
The InChIKey is DCNKJVOEZKGDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14(10-17-8-5-9-21-17)19-16-11-18-20(13-16)12-15-6-3-2-4-7-15/h2-9,11,13-14,19H,10,12H2,1H3.
What are the key properties of 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine?
1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(furan-2-yl)propan-2-yl]pyrazol-4-amine is sourced from PubChem (CID 63086183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).