1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine

C14H15ClF2N4O — CID 118522326

IUPAC1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
SMILESNc1cn(C2CC(N)C2)nc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H15ClF2N4O/c15-7-1-2-12(22-14(16)17)10(3-7)13-11(19)6-21(20-13)9-4-8(18)5-9/h1-3,6,8-9,14H,4-5,18-19H2
InChIKeyBOOQIMBCCKJJOV-UHFFFAOYSA-N
MW328.75 g/mol
LogP3.05
Rot. Bonds4

About 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine

1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine (PubChem CID 118522326) has the molecular formula C14H15ClF2N4O and a molecular weight of 328.75 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
PubChem CID118522326
Molecular FormulaC14H15ClF2N4O
Molecular Weight328.75 g/mol
Exact Mass328.09
IUPAC Name1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
SMILESNc1cn(C2CC(N)C2)nc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C14H15ClF2N4O/c15-7-1-2-12(22-14(16)17)10(3-7)13-11(19)6-21(20-13)9-4-8(18)5-9/h1-3,6,8-9,14H,4-5,18-19H2
InChIKeyBOOQIMBCCKJJOV-UHFFFAOYSA-N
XLogP3.05
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine?
The IUPAC name of 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine (CID 118522326) is 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine.
What is the SMILES notation for 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine?
The canonical SMILES for 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine is Nc1cn(C2CC(N)C2)nc1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine?
The InChIKey is BOOQIMBCCKJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4O/c15-7-1-2-12(22-14(16)17)10(3-7)13-11(19)6-21(20-13)9-4-8(18)5-9/h1-3,6,8-9,14H,4-5,18-19H2.
What are the key properties of 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine?
1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine has a molecular weight of 328.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine is sourced from PubChem (CID 118522326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).