1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine

C17H30F2N4O2 — CID 146599036

IUPAC1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
SMILESNCCCOCCCOCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C17H30F2N4O2/c18-17(19)16-15(21)11-23(22-16)14-5-3-13(4-6-14)12-25-10-2-9-24-8-1-7-20/h11,13-14,17H,1-10,12,20-21H2
InChIKeySXPODTCUTIQGSQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.91
Rot. Bonds11

About 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine

1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine (PubChem CID 146599036) has the molecular formula C17H30F2N4O2 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
PubChem CID146599036
Molecular FormulaC17H30F2N4O2
Molecular Weight360.45 g/mol
Exact Mass360.23
IUPAC Name1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
SMILESNCCCOCCCOCC1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C17H30F2N4O2/c18-17(19)16-15(21)11-23(22-16)14-5-3-13(4-6-14)12-25-10-2-9-24-8-1-7-20/h11,13-14,17H,1-10,12,20-21H2
InChIKeySXPODTCUTIQGSQ-UHFFFAOYSA-N
XLogP2.91
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-Aminopropoxymethyl)cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine
CID 146598354
3-[[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methoxy]propan-1-ol
CID 146598411
Methyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598521
2-[[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]methoxy]ethanamine
CID 146598529
Cyclohexanemethanol, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, trans-
CID 146598754
[4-[4-Amino-5-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 146598755
[4-[3-(Difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]methanol
CID 146598787
tert-butyl N-[3-(difluoromethyl)-1-[4-(prop-2-ynoxymethyl)cyclohexyl]pyrazol-4-yl]carbamate
CID 146598797
3-(Difluoromethyl)-4-nitro-1-[4-(pent-4-ynoxymethyl)cyclohexyl]pyrazole
CID 146598809
2-[4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
CID 146598814
3-(Difluoromethyl)-1-[4-(piperidin-4-yloxymethyl)cyclohexyl]pyrazol-4-amine
CID 146598858
Ethyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598928

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine (CID 146599036) is 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine is NCCCOCCCOCC1CCC(n2cc(N)c(C(F)F)n2)CC1.
What is the InChIKey of 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
The InChIKey is SXPODTCUTIQGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N4O2/c18-17(19)16-15(21)11-23(22-16)14-5-3-13(4-6-14)12-25-10-2-9-24-8-1-7-20/h11,13-14,17H,1-10,12,20-21H2.
What are the key properties of 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine?
1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine has a molecular weight of 360.45 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-aminopropoxy)propoxymethyl]cyclohexyl]-3-(difluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 146599036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).