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

C15H25F2N3 — CID 103030749

IUPAC1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N3/c1-3-18-14(5-4-13-8-11-19-20(13)2)12-6-9-15(16,17)10-7-12/h8,11-12,14,18H,3-7,9-10H2,1-2H3
InChIKeyBNCBCVWAUPNHLT-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.16
Rot. Bonds6

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

1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030749) has the molecular formula C15H25F2N3 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030749
Molecular FormulaC15H25F2N3
Molecular Weight285.38 g/mol
Exact Mass285.20
IUPAC Name1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N3/c1-3-18-14(5-4-13-8-11-19-20(13)2)12-6-9-15(16,17)10-7-12/h8,11-12,14,18H,3-7,9-10H2,1-2H3
InChIKeyBNCBCVWAUPNHLT-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.16
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-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030749) is 1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CCNC(CCc1ccnn1C)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is BNCBCVWAUPNHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3/c1-3-18-14(5-4-13-8-11-19-20(13)2)12-6-9-15(16,17)10-7-12/h8,11-12,14,18H,3-7,9-10H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(4,4-difluorocyclohexyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 3.16, 6 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-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).