3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine

C11H21N3 — CID 81019743

IUPAC3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1ccnn1C
InChIInChI=1S/C11H21N3/c1-4-7-12-8-5-10(2)11-6-9-13-14(11)3/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyWUHMFWYNGULYCZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.91
Rot. Bonds6

About 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine

3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 81019743) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID81019743
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1ccnn1C
InChIInChI=1S/C11H21N3/c1-4-7-12-8-5-10(2)11-6-9-13-14(11)3/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyWUHMFWYNGULYCZ-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.91
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

3-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 81019413
1-methyl-5-octan-2-ylpyrazole
CID 135218459
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
(2S)-2-(2-methylpyrazol-3-yl)propan-1-ol
CID 177004223
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
2-methyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 63960739
5-(3-butylheptan-2-yl)-1-methylpyrazole
CID 151974382
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine (CID 81019743) is 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNCCC(C)c1ccnn1C.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is WUHMFWYNGULYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-7-12-8-5-10(2)11-6-9-13-14(11)3/h6,9-10,12H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine?
3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 81019743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).