3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine

C10H18ClN3 — CID 19619820

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine
SMILESCCC(CCN)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H18ClN3/c1-4-9(5-6-12)14-8(3)10(11)7(2)13-14/h9H,4-6,12H2,1-3H3
InChIKeyVQGFWZZDKQWFAG-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.45
Rot. Bonds4

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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine (PubChem CID 19619820) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine
PubChem CID19619820
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine
SMILESCCC(CCN)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H18ClN3/c1-4-9(5-6-12)14-8(3)10(11)7(2)13-14/h9H,4-6,12H2,1-3H3
InChIKeyVQGFWZZDKQWFAG-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
CID 19619815
1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 70565587
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83044783
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoate
CID 17024876
ethyl 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate
CID 81297481
1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
CID 70566742
3,5-dimethyl-1-pentan-3-ylpyrazol-4-amine
CID 61272477
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
CID 55038887
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
CID 70595068
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62447512
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62128654
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine
CID 62131019

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine (CID 19619820) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine is CCC(CCN)n1nc(C)c(Cl)c1C.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine?
The InChIKey is VQGFWZZDKQWFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-4-9(5-6-12)14-8(3)10(11)7(2)13-14/h9H,4-6,12H2,1-3H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine has a molecular weight of 215.73 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 19619820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).