1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

C13H19N3O — CID 112742517

IUPAC1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1c(C)cnn1C
InChIInChI=1S/C13H19N3O/c1-10-9-15-16(3)13(10)12(14-2)7-6-11-5-4-8-17-11/h4-5,8-9,12,14H,6-7H2,1-3H3
InChIKeyOODZDCYDMPYZEY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds5

About 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 112742517) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID112742517
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)c1c(C)cnn1C
InChIInChI=1S/C13H19N3O/c1-10-9-15-16(3)13(10)12(14-2)7-6-11-5-4-8-17-11/h4-5,8-9,12,14H,6-7H2,1-3H3
InChIKeyOODZDCYDMPYZEY-UHFFFAOYSA-N
XLogP2.21
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
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
3-(furan-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylpropan-1-amine
CID 105186821
1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105108978
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
3-(furan-2-yl)-N-methyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107332164
[3-(furan-2-yl)-1-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 105307383
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105186017
3-(furan-2-yl)-1-isoquinolin-4-yl-N-methylpropan-1-amine
CID 105147383
1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105150536
3-(furan-2-yl)-1-isoquinolin-5-yl-N-methylpropan-1-amine
CID 105143514
3-(furan-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172256
3-(furan-2-yl)-1-(3-methyltriazol-4-yl)-N-propylpropan-1-amine
CID 105184733

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (CID 112742517) is 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine is CNC(CCc1ccco1)c1c(C)cnn1C.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is OODZDCYDMPYZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-9-15-16(3)13(10)12(14-2)7-6-11-5-4-8-17-11/h4-5,8-9,12,14H,6-7H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 112742517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).