2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

C16H25N3O — CID 62443304

IUPAC2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2occc2CNC(C)(C)C)c(C)c1C
InChIInChI=1S/C16H25N3O/c1-11-12(2)18-19(13(11)3)10-15-14(7-8-20-15)9-17-16(4,5)6/h7-8,17H,9-10H2,1-6H3
InChIKeyWSOVKHRAEYJRAP-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62443304) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62443304
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2occc2CNC(C)(C)C)c(C)c1C
InChIInChI=1S/C16H25N3O/c1-11-12(2)18-19(13(11)3)10-15-14(7-8-20-15)9-17-16(4,5)6/h7-8,17H,9-10H2,1-6H3
InChIKeyWSOVKHRAEYJRAP-UHFFFAOYSA-N
XLogP3.34
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(furan-2-YL)methyl]propanamide
CID 16022770
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
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 2563157
N-Furan-2-ylmethyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 656000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62443304) is 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is Cc1nn(Cc2occc2CNC(C)(C)C)c(C)c1C.
What is the InChIKey of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is WSOVKHRAEYJRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-12(2)18-19(13(11)3)10-15-14(7-8-20-15)9-17-16(4,5)6/h7-8,17H,9-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62443304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).