3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine

C9H16ClN3 — CID 19619815

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
SMILESCCC(CCN)n1cc(Cl)c(C)n1
InChIInChI=1S/C9H16ClN3/c1-3-8(4-5-11)13-6-9(10)7(2)12-13/h6,8H,3-5,11H2,1-2H3
InChIKeyAGOBPAFIFZXSHQ-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.14
Rot. Bonds4

About 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine

3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine (PubChem CID 19619815) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
PubChem CID19619815
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
SMILESCCC(CCN)n1cc(Cl)c(C)n1
InChIInChI=1S/C9H16ClN3/c1-3-8(4-5-11)13-6-9(10)7(2)12-13/h6,8H,3-5,11H2,1-2H3
InChIKeyAGOBPAFIFZXSHQ-UHFFFAOYSA-N
XLogP2.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-3-methylpyrazol-1-yl)propan-1-amine
CID 42576127
3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 19619820
3-methyl-1-pentan-3-ylpyrazol-4-amine
CID 79421536
N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
CID 83044250
1-(1-aminopentan-3-yl)pyrazole-4-carboxamide
CID 64780864
2-(4-chloropyrazol-1-yl)butan-1-amine
CID 25248254
3-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81019736
(2S)-2-(4-chloro-3-methylpyrazol-1-yl)propanoate
CID 7026082
3-[3-[(4-methylphenyl)methoxy]pyrazol-1-yl]pentan-1-amine
CID 164914451
1-[2-(bromomethyl)butyl]-4-chloro-3-methylpyrazole
CID 64995260
4-chloro-1-(2-fluoroethyl)-3-methylpyrazole
CID 97182111
5-(4-chloro-3-methylpyrazol-1-yl)-1-ethyl-3-methylpyrazol-4-amine
CID 66012487

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine (CID 19619815) is 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine is CCC(CCN)n1cc(Cl)c(C)n1.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
The InChIKey is AGOBPAFIFZXSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-3-8(4-5-11)13-6-9(10)7(2)12-13/h6,8H,3-5,11H2,1-2H3.
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine?
3-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine has a molecular weight of 201.70 g/mol, XLogP of 2.14, 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-methylpyrazol-1-yl)pentan-1-amine is sourced from PubChem (CID 19619815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).