2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine

C16H21N5 — CID 141411781

IUPAC2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1C=C1CNCCN1N
InChIInChI=1S/C16H21N5/c1-12-16(10-15-11-18-8-9-20(15)17)13(2)21(19-12)14-6-4-3-5-7-14/h3-7,10,18H,8-9,11,17H2,1-2H3
InChIKeyFURVMSBXBJEXFF-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.61
Rot. Bonds2

About 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine (PubChem CID 141411781) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine
PubChem CID141411781
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine
SMILESCc1nn(-c2ccccc2)c(C)c1C=C1CNCCN1N
InChIInChI=1S/C16H21N5/c1-12-16(10-15-11-18-8-9-20(15)17)13(2)21(19-12)14-6-4-3-5-7-14/h3-7,10,18H,8-9,11,17H2,1-2H3
InChIKeyFURVMSBXBJEXFF-UHFFFAOYSA-N
XLogP1.61
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenyl)methyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine
CID 90805690
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 75266589
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3800498
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 169454458
4-[(Z)-1,6-dioxaspiro[4.4]nonan-2-ylidenemethyl]-3,5-dimethyl-1-phenylpyrazole
CID 11681134
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]propanedinitrile
CID 3771083
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
(3S)-1-[(Z)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 97456193
(5E)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 19547889

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine?
The IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine (CID 141411781) is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine.
What is the SMILES notation for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine?
The canonical SMILES for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine is Cc1nn(-c2ccccc2)c(C)c1C=C1CNCCN1N.
What is the InChIKey of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine?
The InChIKey is FURVMSBXBJEXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-16(10-15-11-18-8-9-20(15)17)13(2)21(19-12)14-6-4-3-5-7-14/h3-7,10,18H,8-9,11,17H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine?
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine has a molecular weight of 283.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]piperazin-1-amine is sourced from PubChem (CID 141411781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).