3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine

C12H18ClN3 — CID 114664764

IUPAC3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine
SMILESCC(C)n1ncc(Cl)c1C1=CC(N)CCC1
InChIInChI=1S/C12H18ClN3/c1-8(2)16-12(11(13)7-15-16)9-4-3-5-10(14)6-9/h6-8,10H,3-5,14H2,1-2H3
InChIKeyLWBLOWOFIDIQNM-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.01
Rot. Bonds2

About 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine

3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine (PubChem CID 114664764) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine
PubChem CID114664764
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine
SMILESCC(C)n1ncc(Cl)c1C1=CC(N)CCC1
InChIInChI=1S/C12H18ClN3/c1-8(2)16-12(11(13)7-15-16)9-4-3-5-10(14)6-9/h6-8,10H,3-5,14H2,1-2H3
InChIKeyLWBLOWOFIDIQNM-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine (CID 114664764) is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine is CC(C)n1ncc(Cl)c1C1=CC(N)CCC1.
What is the InChIKey of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine?
The InChIKey is LWBLOWOFIDIQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8(2)16-12(11(13)7-15-16)9-4-3-5-10(14)6-9/h6-8,10H,3-5,14H2,1-2H3.
What are the key properties of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine?
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 114664764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).