3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine

C9H16ClN3 — CID 84776610

IUPAC3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1cn[nH]c1Cl
InChIInChI=1S/C9H16ClN3/c1-6(2)7(3-4-11)8-5-12-13-9(8)10/h5-7H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyKRQJHAXIHVLYPK-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.15
Rot. Bonds4

About 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine

3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine (PubChem CID 84776610) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine
PubChem CID84776610
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1cn[nH]c1Cl
InChIInChI=1S/C9H16ClN3/c1-6(2)7(3-4-11)8-5-12-13-9(8)10/h5-7H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyKRQJHAXIHVLYPK-UHFFFAOYSA-N
XLogP2.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-pyridinyl)-4-methylpentan-1-amine
CID 84805510
3-(3-chloro-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84802311
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
3-(3-chloro-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84802310
3-(1H-pyrazol-5-yl)butan-1-amine
CID 82594079
1-(4-chloro-1H-pyrazol-5-yl)propan-2-amine;hydrochloride
CID 170893702
4,5-di(propan-2-yl)-1H-pyrazole
CID 18735016
3-(3-bromo-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84814432
3-(3-amino-4-pyridinyl)pentane-1,4-diamine
CID 90212207
4-(1-amino-4-methylpentan-3-yl)-2-fluoro-5-methylphenol
CID 84790339
4-methyl-3-(2-methyl-3-propan-2-ylcyclopropen-1-yl)pentan-1-amine
CID 134462344
4,5-di(propan-2-yl)-1H-pyrazole;methane;2-methylpropane
CID 162271243

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine?
The IUPAC name of 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine (CID 84776610) is 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine?
The canonical SMILES for 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine is CC(C)C(CCN)c1cn[nH]c1Cl.
What is the InChIKey of 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine?
The InChIKey is KRQJHAXIHVLYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-6(2)7(3-4-11)8-5-12-13-9(8)10/h5-7H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine?
3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine has a molecular weight of 201.70 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-pyrazol-4-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 84776610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).