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

C14H20N4 — CID 105098522

IUPAC1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1cccnc1
InChIInChI=1S/C14H20N4/c1-10-13(11(2)18(3)17-10)6-7-14(15)12-5-4-8-16-9-12/h4-5,8-9,14H,6-7,15H2,1-3H3
InChIKeyQNVNPJLDLWCKMR-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds4

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

1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105098522) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105098522
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1cccnc1
InChIInChI=1S/C14H20N4/c1-10-13(11(2)18(3)17-10)6-7-14(15)12-5-4-8-16-9-12/h4-5,8-9,14H,6-7,15H2,1-3H3
InChIKeyQNVNPJLDLWCKMR-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105287115
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105154076
1-(1-ethylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109199
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 77081558
1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105146531
[pyridin-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105287039
1-(5-fluoro-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105080417
[1-(3-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105283653
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105148921
[1-pyrazin-2-yl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105308736

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105098522) is 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1CCC(N)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is QNVNPJLDLWCKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-13(11(2)18(3)17-10)6-7-14(15)12-5-4-8-16-9-12/h4-5,8-9,14H,6-7,15H2,1-3H3.
What are the key properties of 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105098522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).