3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C16H27N5 — CID 103031013

IUPAC3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H27N5/c1-6-10-17-15(8-7-14-9-11-18-21(14)5)16-12(2)19-20(4)13(16)3/h9,11,15,17H,6-8,10H2,1-5H3
InChIKeyIXDVZTAKHGTTKQ-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.44
Rot. Bonds7

About 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 103031013) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID103031013
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCCCNC(CCc1ccnn1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H27N5/c1-6-10-17-15(8-7-14-9-11-18-21(14)5)16-12(2)19-20(4)13(16)3/h9,11,15,17H,6-8,10H2,1-5H3
InChIKeyIXDVZTAKHGTTKQ-UHFFFAOYSA-N
XLogP2.44
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
1-(4-chloro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030397
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
1-(2,5-difluorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103010217
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(4-bromo-3-chlorophenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030404
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 103031013) is 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is CCCNC(CCc1ccnn1C)c1c(C)nn(C)c1C.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is IXDVZTAKHGTTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-6-10-17-15(8-7-14-9-11-18-21(14)5)16-12(2)19-20(4)13(16)3/h9,11,15,17H,6-8,10H2,1-5H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103031013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).