4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine

C12H19N3 — CID 103019514

IUPAC4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine
SMILESCn1cc(CC=C2CCC(N)CC2)cn1
InChIInChI=1S/C12H19N3/c1-15-9-11(8-14-15)3-2-10-4-6-12(13)7-5-10/h2,8-9,12H,3-7,13H2,1H3/b10-2-
InChIKeyOUXIXKJRFFTCDI-SGAXSIHGSA-N
MW205.31 g/mol
LogP1.79
Rot. Bonds2

About 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine

4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine (PubChem CID 103019514) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine
PubChem CID103019514
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine
SMILESCn1cc(CC=C2CCC(N)CC2)cn1
InChIInChI=1S/C12H19N3/c1-15-9-11(8-14-15)3-2-10-4-6-12(13)7-5-10/h2,8-9,12H,3-7,13H2,1H3/b10-2-
InChIKeyOUXIXKJRFFTCDI-SGAXSIHGSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.79
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

2-methyl-4-(1-methylpyrazol-4-yl)but-2-en-1-amine
CID 103392262
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
1-amino-3-cyclopropyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 116514484
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
(E)-2-methyl-3-(1-methylpyrazol-4-yl)prop-1-en-1-amine
CID 67952565
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736
ethane;4-ethyl-1-methylpyrazole
CID 143829284
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine (CID 103019514) is 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine is Cn1cc(CC=C2CCC(N)CC2)cn1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine?
The InChIKey is OUXIXKJRFFTCDI-SGAXSIHGSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-9-11(8-14-15)3-2-10-4-6-12(13)7-5-10/h2,8-9,12H,3-7,13H2,1H3/b10-2-.
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine?
4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine has a molecular weight of 205.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)ethylidene]cyclohexan-1-amine is sourced from PubChem (CID 103019514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).