1-(3-iminohexyl)pyrazol-4-amine

C9H16N4 — CID 174655950

IUPAC1-(3-iminohexyl)pyrazol-4-amine
SMILES[H]/N=C(\CCC)CCn1cc(N)cn1
InChIInChI=1S/C9H16N4/c1-2-3-8(10)4-5-13-7-9(11)6-12-13/h6-7,10H,2-5,11H2,1H3/b10-8+
InChIKeyHIEZOOUETUUJNI-CSKARUKUSA-N
MW180.26 g/mol
LogP1.68
Rot. Bonds5

About 1-(3-iminohexyl)pyrazol-4-amine

1-(3-iminohexyl)pyrazol-4-amine (PubChem CID 174655950) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 1-(3-iminohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-iminohexyl)pyrazol-4-amine
PubChem CID174655950
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name1-(3-iminohexyl)pyrazol-4-amine
SMILES[H]/N=C(\CCC)CCn1cc(N)cn1
InChIInChI=1S/C9H16N4/c1-2-3-8(10)4-5-13-7-9(11)6-12-13/h6-7,10H,2-5,11H2,1H3/b10-8+
InChIKeyHIEZOOUETUUJNI-CSKARUKUSA-N
XLogP1.68
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-propylsulfanylethyl)pyrazol-4-amine
CID 62137009
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
ethyl 1-propylpyrazole-4-carboximidate
CID 103572756
1-[2-(dibutylamino)ethyl]pyrazol-4-amine
CID 62138066
1-[2-(1,1-dioxo-5-propyl-1,2,5-thiadiazolidin-2-yl)ethyl]pyrazol-4-amine
CID 112751914
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-propylpentanamide
CID 82985272
1-[2-[butyl(ethyl)amino]ethyl]pyrazol-4-amine
CID 62136981
N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 115319872
1-[2-(4-chloropyrazol-1-yl)ethyl]pyrazol-4-amine
CID 62139555
1-(4,4-difluorobutyl)pyrazol-4-amine
CID 165472720
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-(2-ethylbutyl)pyrazol-4-amine
CID 56604384

Frequently Asked Questions

What is the IUPAC name of 1-(3-iminohexyl)pyrazol-4-amine?
The IUPAC name of 1-(3-iminohexyl)pyrazol-4-amine (CID 174655950) is 1-(3-iminohexyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-iminohexyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-iminohexyl)pyrazol-4-amine is [H]/N=C(\CCC)CCn1cc(N)cn1.
What is the InChIKey of 1-(3-iminohexyl)pyrazol-4-amine?
The InChIKey is HIEZOOUETUUJNI-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-3-8(10)4-5-13-7-9(11)6-12-13/h6-7,10H,2-5,11H2,1H3/b10-8+.
What are the key properties of 1-(3-iminohexyl)pyrazol-4-amine?
1-(3-iminohexyl)pyrazol-4-amine has a molecular weight of 180.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iminohexyl)pyrazol-4-amine is sourced from PubChem (CID 174655950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).