3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine

C14H27N3 — CID 103004378

IUPAC3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)CCc1ccnn1C
InChIInChI=1S/C14H27N3/c1-5-10-15-12(3)13(6-2)7-8-14-9-11-16-17(14)4/h9,11-13,15H,5-8,10H2,1-4H3
InChIKeyKHGZDTGSFBSGEL-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds8

About 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine

3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine (PubChem CID 103004378) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
PubChem CID103004378
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)CCc1ccnn1C
InChIInChI=1S/C14H27N3/c1-5-10-15-12(3)13(6-2)7-8-14-9-11-16-17(14)4/h9,11-13,15H,5-8,10H2,1-4H3
InChIKeyKHGZDTGSFBSGEL-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine (CID 103004378) is 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine is CCCNC(C)C(CC)CCc1ccnn1C.
What is the InChIKey of 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine?
The InChIKey is KHGZDTGSFBSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-10-15-12(3)13(6-2)7-8-14-9-11-16-17(14)4/h9,11-13,15H,5-8,10H2,1-4H3.
What are the key properties of 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine?
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 103004378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).