3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine

C15H21F2N3O3 — CID 135341987

IUPAC3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine
SMILESNc1cn(C2CCC3(CC2)OCCO3)nc1OC[C@@H]1CC1(F)F
InChIInChI=1S/C15H21F2N3O3/c16-15(17)7-10(15)9-21-13-12(18)8-20(19-13)11-1-3-14(4-2-11)22-5-6-23-14/h8,10-11H,1-7,9,18H2/t10-/m0/s1
InChIKeyOJRRNTHVMBRXTI-JTQLQIEISA-N
MW329.35 g/mol
LogP2.36
Rot. Bonds4

About 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine

3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine (PubChem CID 135341987) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine
PubChem CID135341987
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine
SMILESNc1cn(C2CCC3(CC2)OCCO3)nc1OC[C@@H]1CC1(F)F
InChIInChI=1S/C15H21F2N3O3/c16-15(17)7-10(15)9-21-13-12(18)8-20(19-13)11-1-3-14(4-2-11)22-5-6-23-14/h8,10-11H,1-7,9,18H2/t10-/m0/s1
InChIKeyOJRRNTHVMBRXTI-JTQLQIEISA-N
XLogP2.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-(3-ethoxypropoxy)pyrazol-4-yl]carbamic acid
CID 146454338
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-phenylmethoxypyrazole-4-carboxylic acid
CID 146445917
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-ethyl-4-iodopyrazole
CID 67004423
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-iodopyrazole
CID 134360989
1-(1,4-dioxaspiro[4.5]decan-8-yl)imidazole-4,5-dicarbonitrile
CID 86799264
benzyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]carbamate
CID 135342014
1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
CID 103079156
3-(3-methylsulfonylpropoxy)-1-[4-[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]cyclohexyl]pyrazol-4-amine
CID 146446093
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 79118452
3-(cyclopropylmethoxy)-1-methylpyrazol-4-amine
CID 103079090
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,1-dimethylimidazole-4-carboxamide
CID 107972294
2-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-nitropyrazol-3-yl]pyridine
CID 122638524

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine?
The IUPAC name of 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine (CID 135341987) is 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine.
What is the SMILES notation for 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine?
The canonical SMILES for 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine is Nc1cn(C2CCC3(CC2)OCCO3)nc1OC[C@@H]1CC1(F)F.
What is the InChIKey of 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine?
The InChIKey is OJRRNTHVMBRXTI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21F2N3O3/c16-15(17)7-10(15)9-21-13-12(18)8-20(19-13)11-1-3-14(4-2-11)22-5-6-23-14/h8,10-11H,1-7,9,18H2/t10-/m0/s1.
What are the key properties of 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine?
3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine has a molecular weight of 329.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-2,2-difluorocyclopropyl]methoxy]-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-amine is sourced from PubChem (CID 135341987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).