4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine

C12H23N3 — CID 83094527

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cn(C)nc1C
InChIInChI=1S/C12H23N3/c1-5-8-13-10(2)6-7-12-9-15(4)14-11(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyISCQSJXPAIJILH-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.05
Rot. Bonds6

About 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine (PubChem CID 83094527) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
PubChem CID83094527
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cn(C)nc1C
InChIInChI=1S/C12H23N3/c1-5-8-13-10(2)6-7-12-9-15(4)14-11(12)3/h9-10,13H,5-8H2,1-4H3
InChIKeyISCQSJXPAIJILH-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]hexan-2-amine
CID 115895160
4-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 112671485
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115757239
(E)-4-(1,3-dimethylpyrazol-4-yl)-N-propylbut-3-en-2-amine
CID 103092667
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115751852
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
4-(1-methylindol-3-yl)-N-propylbutan-2-amine
CID 107236535
1-cyclopropyl-N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115895156
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 102803357

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine (CID 83094527) is 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine is CCCNC(C)CCc1cn(C)nc1C.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is ISCQSJXPAIJILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-8-13-10(2)6-7-12-9-15(4)14-11(12)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 83094527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).