1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C14H23F2N3 — CID 103030649

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N3/c1-17-13(4-3-12-7-10-18-19(12)2)11-5-8-14(15,16)9-6-11/h7,10-11,13,17H,3-6,8-9H2,1-2H3
InChIKeyYAUAQKUAUNMOKM-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.77
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030649) has the molecular formula C14H23F2N3 and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030649
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCNC(CCc1ccnn1C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N3/c1-17-13(4-3-12-7-10-18-19(12)2)11-5-8-14(15,16)9-6-11/h7,10-11,13,17H,3-6,8-9H2,1-2H3
InChIKeyYAUAQKUAUNMOKM-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030649) is 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CNC(CCc1ccnn1C)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is YAUAQKUAUNMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3/c1-17-13(4-3-12-7-10-18-19(12)2)11-5-8-14(15,16)9-6-11/h7,10-11,13,17H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).