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

C14H21N3O — CID 62448149

IUPACN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C14H21N3O/c1-4-5-15-8-13-7-14(18-10-13)9-17-12(3)6-11(2)16-17/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyDORCBDHFCQQOTC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds6

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

N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62448149) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62448149
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C14H21N3O/c1-4-5-15-8-13-7-14(18-10-13)9-17-12(3)6-11(2)16-17/h6-7,10,15H,4-5,8-9H2,1-3H3
InChIKeyDORCBDHFCQQOTC-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 55072792
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62447597
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]furan-3-yl]methyl]propan-1-amine
CID 62888715
N-[[5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456266
N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62419772
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 62448149) is N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(Cn2nc(C)cc2C)c1.
What is the InChIKey of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is DORCBDHFCQQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-5-15-8-13-7-14(18-10-13)9-17-12(3)6-11(2)16-17/h6-7,10,15H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.64, 6 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-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62448149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).