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

C14H21N3O — CID 55073179

IUPAC2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1cnn(Cc2cc(CNCC(C)C)co2)c1
InChIInChI=1S/C14H21N3O/c1-11(2)5-15-7-13-4-14(18-10-13)9-17-8-12(3)6-16-17/h4,6,8,10-11,15H,5,7,9H2,1-3H3
InChIKeyUERMZOSXYCUVAY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.58
Rot. Bonds6

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

2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 55073179) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID55073179
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCc1cnn(Cc2cc(CNCC(C)C)co2)c1
InChIInChI=1S/C14H21N3O/c1-11(2)5-15-7-13-4-14(18-10-13)9-17-8-12(3)6-16-17/h4,6,8,10-11,15H,5,7,9H2,1-3H3
InChIKeyUERMZOSXYCUVAY-UHFFFAOYSA-N
XLogP2.58
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62446699
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
2-methyl-N-[[3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55073324
N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62448270
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 116793496
N-[[5-[(4-chloropyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62442297
2-methyl-N-[[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114413319
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449283
2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(4-chloropyrazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55073517
2-methyl-N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63209130
2-methyl-N-[[5-[(2-methylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 55073179) is 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is Cc1cnn(Cc2cc(CNCC(C)C)co2)c1.
What is the InChIKey of 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is UERMZOSXYCUVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)5-15-7-13-4-14(18-10-13)9-17-8-12(3)6-16-17/h4,6,8,10-11,15H,5,7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 55073179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).