1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine

C12H19F2N3O — CID 114255762

IUPAC1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1cc(CNCC2CCC(F)(F)C2)nn1C
InChIInChI=1S/C12H19F2N3O/c1-17-11(18-2)5-10(16-17)8-15-7-9-3-4-12(13,14)6-9/h5,9,15H,3-4,6-8H2,1-2H3
InChIKeyUSUKDLBJQFPNMU-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.95
Rot. Bonds5

About 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine

1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 114255762) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
PubChem CID114255762
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1cc(CNCC2CCC(F)(F)C2)nn1C
InChIInChI=1S/C12H19F2N3O/c1-17-11(18-2)5-10(16-17)8-15-7-9-3-4-12(13,14)6-9/h5,9,15H,3-4,6-8H2,1-2H3
InChIKeyUSUKDLBJQFPNMU-UHFFFAOYSA-N
XLogP1.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-[[5-methyl-1-(trifluoromethyl)cyclopent-2-en-1-yl]methyl]pyrazol-3-yl]-N-methylmethanamine
CID 138482812
1-Hexyl-5-methoxy-3-(trifluoromethyl)pyrazole
CID 174551017
1-[5-Methoxy-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 178139815
4-(((1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)oxy)methyl)piperidine
CID 97180357
4,4,4-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylbutan-1-amine
CID 114255447
5,5,5-trifluoro-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylpentan-1-amine
CID 114255514
2-(3,3-Difluorocyclopentyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255592
1,1,1-Trifluoro-3-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 114255782
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 114255784
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114255800
3,3,3-Trifluoro-2-[[(5-methoxy-1-methylpyrazol-3-yl)methylamino]methyl]propanoic acid
CID 114256089
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine (CID 114255762) is 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine is COc1cc(CNCC2CCC(F)(F)C2)nn1C.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is USUKDLBJQFPNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-17-11(18-2)5-10(16-17)8-15-7-9-3-4-12(13,14)6-9/h5,9,15H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine?
1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 259.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 114255762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).