3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C13H24N4 — CID 83930084

IUPAC3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1C(CCN)N1CCCC1
InChIInChI=1S/C13H24N4/c1-10-13(11(2)16(3)15-10)12(6-7-14)17-8-4-5-9-17/h12H,4-9,14H2,1-3H3
InChIKeyXLWBGFJHDVWTSW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.52
Rot. Bonds4

About 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 83930084) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID83930084
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1C(CCN)N1CCCC1
InChIInChI=1S/C13H24N4/c1-10-13(11(2)16(3)15-10)12(6-7-14)17-8-4-5-9-17/h12H,4-9,14H2,1-3H3
InChIKeyXLWBGFJHDVWTSW-UHFFFAOYSA-N
XLogP1.52
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 83930058
3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 82107835
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
3-pyrrolidin-1-yl-3-(2,3,6-trichlorophenyl)propan-1-amine
CID 83925122
1-[1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975656
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidin-4-amine
CID 81458250
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-1-amine
CID 105179598
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743596
3-(4-methylsulfonylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83926312
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
CID 105307847

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 83930084) is 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1C(CCN)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is XLWBGFJHDVWTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-13(11(2)16(3)15-10)12(6-7-14)17-8-4-5-9-17/h12H,4-9,14H2,1-3H3.
What are the key properties of 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 83930084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).