4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine

C9H14ClN3 — CID 165479395

IUPAC4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine
SMILESCC(C)=CCCn1cc(Cl)c(N)n1
InChIInChI=1S/C9H14ClN3/c1-7(2)4-3-5-13-6-8(10)9(11)12-13/h4,6H,3,5H2,1-2H3,(H2,11,12)
InChIKeyHYHZESWUDOONMU-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.47
Rot. Bonds3

About 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine

4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine (PubChem CID 165479395) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine
PubChem CID165479395
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine
SMILESCC(C)=CCCn1cc(Cl)c(N)n1
InChIInChI=1S/C9H14ClN3/c1-7(2)4-3-5-13-6-8(10)9(11)12-13/h4,6H,3,5H2,1-2H3,(H2,11,12)
InChIKeyHYHZESWUDOONMU-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-ethylpyrazol-3-amine
CID 19576739
4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 112589426
4-chloro-1-(3-methoxy-3-methylbutyl)pyrazol-3-amine
CID 103033703
4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 165479577
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine
CID 165481302
1-[2-(3-amino-4-chloropyrazol-1-yl)ethyl]pyridin-2-one
CID 82896865
4-chloro-1-[(1-ethyltriazol-4-yl)methyl]pyrazol-3-amine
CID 165472532
4-chloro-1-[(4-ethoxyphenoxy)methyl]pyrazol-3-amine
CID 19618340
2-[2-[(3-amino-4-chloropyrazol-1-yl)methyl]phenyl]acetic acid
CID 113314556
4-chloro-1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-amine
CID 19618319
4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
CID 19618327

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine (CID 165479395) is 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine is CC(C)=CCCn1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine?
The InChIKey is HYHZESWUDOONMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-7(2)4-3-5-13-6-8(10)9(11)12-13/h4,6H,3,5H2,1-2H3,(H2,11,12).
What are the key properties of 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine?
4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine has a molecular weight of 199.69 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine is sourced from PubChem (CID 165479395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).