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

C13H21N5 — CID 105114109

IUPAC1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(C)c1CC(N)Cc1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-9-13(10(2)18(4)16-9)6-12(14)5-11-7-15-17(3)8-11/h7-8,12H,5-6,14H2,1-4H3
InChIKeyJUHLUVPLUYUTAX-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.88
Rot. Bonds4

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

1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105114109) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105114109
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(C)c1CC(N)Cc1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-9-13(10(2)18(4)16-9)6-12(14)5-11-7-15-17(3)8-11/h7-8,12H,5-6,14H2,1-4H3
InChIKeyJUHLUVPLUYUTAX-UHFFFAOYSA-N
XLogP0.88
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731853
1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105089319
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105080887
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
1-(1-methylpyrazol-4-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pentan-3-one
CID 103024140
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
1-(2-chloro-6-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63023518

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105114109) is 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is Cc1nn(C)c(C)c1CC(N)Cc1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is JUHLUVPLUYUTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9-13(10(2)18(4)16-9)6-12(14)5-11-7-15-17(3)8-11/h7-8,12H,5-6,14H2,1-4H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105114109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).