1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine

C14H27N3 — CID 115816153

IUPAC1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cnn(CC)c1
InChIInChI=1S/C14H27N3/c1-5-8-15-14(9-12(4)6-2)13-10-16-17(7-3)11-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyBRVZSOQPZCXGDP-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.38
Rot. Bonds8

About 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine

1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine (PubChem CID 115816153) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
PubChem CID115816153
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cnn(CC)c1
InChIInChI=1S/C14H27N3/c1-5-8-15-14(9-12(4)6-2)13-10-16-17(7-3)11-13/h10-12,14-15H,5-9H2,1-4H3
InChIKeyBRVZSOQPZCXGDP-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135434
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
1-(4-bromophenyl)-3-methyl-N-propylpentan-1-amine
CID 55186607
1-(4-chloro-1-methylpyrazol-5-yl)-3-methyl-N-propylpentan-1-amine
CID 105046660
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine (CID 115816153) is 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is BRVZSOQPZCXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-15-14(9-12(4)6-2)13-10-16-17(7-3)11-13/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine?
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 115816153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).