4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine

C15H23N3O — CID 114554873

IUPAC4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine
SMILESCCCn1nccc1CNC(C)CCc1ccco1
InChIInChI=1S/C15H23N3O/c1-3-10-18-14(8-9-17-18)12-16-13(2)6-7-15-5-4-11-19-15/h4-5,8-9,11,13,16H,3,6-7,10,12H2,1-2H3
InChIKeyOQELPGWDLDRVGF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds8

About 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine

4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine (PubChem CID 114554873) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine
PubChem CID114554873
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine
SMILESCCCn1nccc1CNC(C)CCc1ccco1
InChIInChI=1S/C15H23N3O/c1-3-10-18-14(8-9-17-18)12-16-13(2)6-7-15-5-4-11-19-15/h4-5,8-9,11,13,16H,3,6-7,10,12H2,1-2H3
InChIKeyOQELPGWDLDRVGF-UHFFFAOYSA-N
XLogP3.00
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
4-(furan-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 62322509
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 80682006

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine (CID 114554873) is 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine is CCCn1nccc1CNC(C)CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine?
The InChIKey is OQELPGWDLDRVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-10-18-14(8-9-17-18)12-16-13(2)6-7-15-5-4-11-19-15/h4-5,8-9,11,13,16H,3,6-7,10,12H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine?
4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[(2-propylpyrazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 114554873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).