4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine

C19H24N4O2 — CID 139363775

IUPAC4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine
SMILESC=C(OC)n1nc(-c2ccccn2)c(C2=CCCCC2)c1N(C)OC
InChIInChI=1S/C19H24N4O2/c1-14(24-3)23-19(22(2)25-4)17(15-10-6-5-7-11-15)18(21-23)16-12-8-9-13-20-16/h8-10,12-13H,1,5-7,11H2,2-4H3
InChIKeyVPWXKXPTPMINKU-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.97
Rot. Bonds6

About 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine

4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine (PubChem CID 139363775) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine
PubChem CID139363775
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine
SMILESC=C(OC)n1nc(-c2ccccn2)c(C2=CCCCC2)c1N(C)OC
InChIInChI=1S/C19H24N4O2/c1-14(24-3)23-19(22(2)25-4)17(15-10-6-5-7-11-15)18(21-23)16-12-8-9-13-20-16/h8-10,12-13H,1,5-7,11H2,2-4H3
InChIKeyVPWXKXPTPMINKU-UHFFFAOYSA-N
XLogP3.97
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-5-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 142295559
[4-(cyclohexen-1-yl)-5-phenyl-2-pyridin-2-yl-3-pyridinyl]-difluoroborane
CID 122389721
1,4-dipyridin-2-yl-5,6,7,8-tetrahydrophthalazine
CID 15911741
2-[2-(4-methoxyphenyl)cyclohexen-1-yl]pyridine
CID 102382394
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
2-methoxy-3-pyridin-2-ylpyrazine
CID 91147636
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152870167
3-(cyclohexen-1-yl)-7-methoxy-6-(4-methoxyphenyl)-2-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 134307264
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
3-(cyclohexen-1-yl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 59519568
1-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]-3-(3-methoxyphenyl)urea
CID 22434429

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine (CID 139363775) is 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine is C=C(OC)n1nc(-c2ccccn2)c(C2=CCCCC2)c1N(C)OC.
What is the InChIKey of 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine?
The InChIKey is VPWXKXPTPMINKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(24-3)23-19(22(2)25-4)17(15-10-6-5-7-11-15)18(21-23)16-12-8-9-13-20-16/h8-10,12-13H,1,5-7,11H2,2-4H3.
What are the key properties of 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine?
4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine has a molecular weight of 340.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-N-methoxy-1-(1-methoxyethenyl)-N-methyl-3-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 139363775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).