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

C14H23F2N3 — CID 103029875

IUPAC1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N3/c1-17-13(4-3-11-9-18-19(2)10-11)12-5-7-14(15,16)8-6-12/h9-10,12-13,17H,3-8H2,1-2H3
InChIKeyNAQRUCMEJSEFRZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.77
Rot. Bonds5

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

1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029875) 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-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029875
Molecular FormulaC14H23F2N3
Molecular Weight271.35 g/mol
Exact Mass271.19
IUPAC Name1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H23F2N3/c1-17-13(4-3-11-9-18-19(2)10-11)12-5-7-14(15,16)8-6-12/h9-10,12-13,17H,3-8H2,1-2H3
InChIKeyNAQRUCMEJSEFRZ-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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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740
1-methyl-4-[(pyrrolidin-2-yl)methyl]-1H-pyrazole
CID 64089898

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029875) is 1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is NAQRUCMEJSEFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3/c1-17-13(4-3-11-9-18-19(2)10-11)12-5-7-14(15,16)8-6-12/h9-10,12-13,17H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(4,4-difluorocyclohexyl)-N-methyl-3-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).