1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

C11H21N3 — CID 115580072

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCCCC(N)c1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3/c1-5-6-7-10(12)11-8(2)13-14(4)9(11)3/h10H,5-7,12H2,1-4H3
InChIKeyOVISTOYDLVRBBS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds4

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

1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (PubChem CID 115580072) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
PubChem CID115580072
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCCCC(N)c1c(C)nn(C)c1C
InChIInChI=1S/C11H21N3/c1-5-6-7-10(12)11-8(2)13-14(4)9(11)3/h10H,5-7,12H2,1-4H3
InChIKeyOVISTOYDLVRBBS-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)hex-5-yn-1-amine
CID 105179598
1-(1,3,5-trimethylpyrazol-4-yl)hex-4-yn-1-amine
CID 105181482
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105152416
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
CID 102803171
1-(2,5-dimethylpyrazol-3-yl)heptan-1-amine
CID 105126222
2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311802
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 83930058

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (CID 115580072) is 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is CCCCC(N)c1c(C)nn(C)c1C.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The InChIKey is OVISTOYDLVRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-7-10(12)11-8(2)13-14(4)9(11)3/h10H,5-7,12H2,1-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 115580072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).