N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C15H23N3O — CID 62447774

IUPACN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(Cc2ccc(CNC(C)(C)C)o2)n1
InChIInChI=1S/C15H23N3O/c1-11-8-12(2)18(17-11)10-14-7-6-13(19-14)9-16-15(3,4)5/h6-8,16H,9-10H2,1-5H3
InChIKeyZXSNMIQCBWEREN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds4

About N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62447774) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62447774
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(Cc2ccc(CNC(C)(C)C)o2)n1
InChIInChI=1S/C15H23N3O/c1-11-8-12(2)18(17-11)10-14-7-6-13(19-14)9-16-15(3,4)5/h6-8,16H,9-10H2,1-5H3
InChIKeyZXSNMIQCBWEREN-UHFFFAOYSA-N
XLogP3.03
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
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
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-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetamide
CID 16191525
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62447774) is N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is Cc1cc(C)n(Cc2ccc(CNC(C)(C)C)o2)n1.
What is the InChIKey of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZXSNMIQCBWEREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-12(2)18(17-11)10-14-7-6-13(19-14)9-16-15(3,4)5/h6-8,16H,9-10H2,1-5H3.
What are the key properties of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62447774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).