1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

C13H19N3O — CID 105108978

IUPAC1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCCn1cc(C(CCc2ccco2)NC)cn1
InChIInChI=1S/C13H19N3O/c1-3-16-10-11(9-15-16)13(14-2)7-6-12-5-4-8-17-12/h4-5,8-10,13-14H,3,6-7H2,1-2H3
InChIKeyHLVOGCFNWJPJSB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.39
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 105108978) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID105108978
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCCn1cc(C(CCc2ccco2)NC)cn1
InChIInChI=1S/C13H19N3O/c1-3-16-10-11(9-15-16)13(14-2)7-6-12-5-4-8-17-12/h4-5,8-10,13-14H,3,6-7H2,1-2H3
InChIKeyHLVOGCFNWJPJSB-UHFFFAOYSA-N
XLogP2.39
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105186645
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 112742517
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
[1-(2-ethylpyrazol-3-yl)-3-(furan-2-yl)propyl]hydrazine
CID 105307153
3-(furan-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107332164
1-(1-ethylpyrazol-4-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109061
N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 103569541
3-(furan-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
CID 105186821
3-(furan-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172256
3-(furan-2-yl)-N-methyl-1-quinolin-6-ylpropan-1-amine
CID 105172364
3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (CID 105108978) is 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine is CCn1cc(C(CCc2ccco2)NC)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is HLVOGCFNWJPJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-16-10-11(9-15-16)13(14-2)7-6-12-5-4-8-17-12/h4-5,8-10,13-14H,3,6-7H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105108978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).