N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine

C14H23F3N4 — CID 156721972

IUPACN-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine
SMILESC=NC.CC(C1CCC(C(F)(F)F)CC1)n1cc(N)cn1
InChIInChI=1S/C12H18F3N3.C2H5N/c1-8(18-7-11(16)6-17-18)9-2-4-10(5-3-9)12(13,14)15;1-3-2/h6-10H,2-5,16H2,1H3;1H2,2H3
InChIKeyXDPPJDCGEQYFDG-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.71
Rot. Bonds2

About N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine

N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine (PubChem CID 156721972) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine
PubChem CID156721972
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine
SMILESC=NC.CC(C1CCC(C(F)(F)F)CC1)n1cc(N)cn1
InChIInChI=1S/C12H18F3N3.C2H5N/c1-8(18-7-11(16)6-17-18)9-2-4-10(5-3-9)12(13,14)15;1-3-2/h6-10H,2-5,16H2,1H3;1H2,2H3
InChIKeyXDPPJDCGEQYFDG-UHFFFAOYSA-N
XLogP3.71
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-4-amine
CID 67113476
1-methyl-N-[(4-propylcyclohexyl)methyl]pyrazol-4-amine
CID 75391259
(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 97098143
N-(1-methylpyrazol-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43776713
1-(5-Fluoro-hexyl)-1H-pyrazol-4-ylamine
CID 66928634
1-(5,5-Difluoro-hexyl)-1H-pyrazol-4-ylamine
CID 66929172
1-(4,4-Difluorocyclohexyl)-1H-pyrazol-4-amine
CID 84733811
1-(1-Ethyl-3-fluoropiperidin-4-yl)pyrazol-4-amine
CID 118365615
1-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 118365664
1-[(3,3-difluorocyclobutyl)methyl]-1H-pyrazol-4-amine
CID 122240415
1-[(4,4-Difluorocyclohexyl)methyl]pyrazol-4-amine
CID 124109786
1-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]pyrazol-4-amine
CID 139434588

Frequently Asked Questions

What is the IUPAC name of N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine?
The IUPAC name of N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine (CID 156721972) is N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine.
What is the SMILES notation for N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine?
The canonical SMILES for N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine is C=NC.CC(C1CCC(C(F)(F)F)CC1)n1cc(N)cn1.
What is the InChIKey of N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine?
The InChIKey is XDPPJDCGEQYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3.C2H5N/c1-8(18-7-11(16)6-17-18)9-2-4-10(5-3-9)12(13,14)15;1-3-2/h6-10H,2-5,16H2,1H3;1H2,2H3.
What are the key properties of N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine?
N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine has a molecular weight of 304.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanimine;1-[1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazol-4-amine is sourced from PubChem (CID 156721972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).