2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine

C16H29N3 — CID 83159330

IUPAC2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1cc(CC)nn1C)C1CC1
InChIInChI=1S/C16H29N3/c1-5-9-17-12-16(3,13-7-8-13)11-15-10-14(6-2)18-19(15)4/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyLWHRSOFZZJNKCO-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.94
Rot. Bonds8

About 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine

2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine (PubChem CID 83159330) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
PubChem CID83159330
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(Cc1cc(CC)nn1C)C1CC1
InChIInChI=1S/C16H29N3/c1-5-9-17-12-16(3,13-7-8-13)11-15-10-14(6-2)18-19(15)4/h10,13,17H,5-9,11-12H2,1-4H3
InChIKeyLWHRSOFZZJNKCO-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3,5-di-t-butylpyrazole
CID 145635
(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanamine
CID 33781805
3,5-Ditert-butyl-1-propan-2-ylpyrazole
CID 2742034
{2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-methylethyl}amine
CID 19620826
(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methanamine
CID 33781822
4-(2-ethyl-5-methyl-2H-pyrazol-3-yl)-piperidine
CID 11708208
(1S,5R)-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane
CID 90292738
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]piperidine
CID 52191583
N-(2-(3,5-dicyclopropyl-1H-pyrazol-1-yl)ethyl)pivalamide
CID 72718776
Piperidine, 4-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-
CID 11608470
4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 22288395
2-(Tert-butyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 59229752

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine (CID 83159330) is 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)(Cc1cc(CC)nn1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is LWHRSOFZZJNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-9-17-12-16(3,13-7-8-13)11-15-10-14(6-2)18-19(15)4/h10,13,17H,5-9,11-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine?
2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 83159330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).