(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C14H23F2N3O — CID 105187165

IUPAC(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N3O/c1-3-8-19-13(11(20-2)9-18-19)12(17)10-4-6-14(15,16)7-5-10/h9-10,12H,3-8,17H2,1-2H3
InChIKeyQXOPYQMJEQLXOY-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.13
Rot. Bonds5

About (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 105187165) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID105187165
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N3O/c1-3-8-19-13(11(20-2)9-18-19)12(17)10-4-6-14(15,16)7-5-10/h9-10,12H,3-8,17H2,1-2H3
InChIKeyQXOPYQMJEQLXOY-UHFFFAOYSA-N
XLogP3.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 107191239
1-(4,4-dimethylcyclohexyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114655317
1-cyclopropyl-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114647967
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114657737
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
1-(4,4-difluorocyclohexyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105186369
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
(4-methoxy-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105187158
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837767
[(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253412
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 105187165) is (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is QXOPYQMJEQLXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-3-8-19-13(11(20-2)9-18-19)12(17)10-4-6-14(15,16)7-5-10/h9-10,12H,3-8,17H2,1-2H3.
What are the key properties of (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 287.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105187165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).