N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine

C15H29N3 — CID 79225643

IUPACN-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCCC(CC)n1nc(C)c(CCNC(C)C)c1C
InChIInChI=1S/C15H29N3/c1-7-14(8-2)18-13(6)15(12(5)17-18)9-10-16-11(3)4/h11,14,16H,7-10H2,1-6H3
InChIKeyTVQVDOCKAMWMNN-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine

N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 79225643) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine
PubChem CID79225643
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCCC(CC)n1nc(C)c(CCNC(C)C)c1C
InChIInChI=1S/C15H29N3/c1-7-14(8-2)18-13(6)15(12(5)17-18)9-10-16-11(3)4/h11,14,16H,7-10H2,1-6H3
InChIKeyTVQVDOCKAMWMNN-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
N-[2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 65178222
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103227564
2-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-methylethanamine
CID 107887997
(2R)-2-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propane-1,2-diamine
CID 104868295
N-[2-[1-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-2-amine
CID 79562921
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79224992
3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine
CID 61272477
2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)ethanamine
CID 23005875

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine (CID 79225643) is N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine is CCC(CC)n1nc(C)c(CCNC(C)C)c1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is TVQVDOCKAMWMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-14(8-2)18-13(6)15(12(5)17-18)9-10-16-11(3)4/h11,14,16H,7-10H2,1-6H3.
What are the key properties of N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine?
N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-pentan-3-ylpyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79225643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).