1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C11H21N3 — CID 64785884

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(C)N)n1
InChIInChI=1S/C11H21N3/c1-4-11(5-2)14-7-6-10(13-14)8-9(3)12/h6-7,9,11H,4-5,8,12H2,1-3H3
InChIKeyMIEKLBZRCSPJIL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.13
Rot. Bonds5

About 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64785884) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID64785884
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(C)N)n1
InChIInChI=1S/C11H21N3/c1-4-11(5-2)14-7-6-10(13-14)8-9(3)12/h6-7,9,11H,4-5,8,12H2,1-3H3
InChIKeyMIEKLBZRCSPJIL-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829
3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine
CID 79063965
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991709
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
CID 65134516

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 64785884) is 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(C)N)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is MIEKLBZRCSPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11(5-2)14-7-6-10(13-14)8-9(3)12/h6-7,9,11H,4-5,8,12H2,1-3H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64785884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).