N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N3O — CID 115600694

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1c(CNC2CCCC(C(F)(F)F)C2)c(C)nn1C
InChIInChI=1S/C14H22F3N3O/c1-9-12(13(21-3)20(2)19-9)8-18-11-6-4-5-10(7-11)14(15,16)17/h10-11,18H,4-8H2,1-3H3
InChIKeyVWYRZQPDPWOEIX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.95
Rot. Bonds4

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 115600694) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID115600694
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1c(CNC2CCCC(C(F)(F)F)C2)c(C)nn1C
InChIInChI=1S/C14H22F3N3O/c1-9-12(13(21-3)20(2)19-9)8-18-11-6-4-5-10(7-11)14(15,16)17/h10-11,18H,4-8H2,1-3H3
InChIKeyVWYRZQPDPWOEIX-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 115600694) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is COc1c(CNC2CCCC(C(F)(F)F)C2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VWYRZQPDPWOEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-9-12(13(21-3)20(2)19-9)8-18-11-6-4-5-10(7-11)14(15,16)17/h10-11,18H,4-8H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 115600694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).