4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine

C8H10ClF2N3 — CID 130859928

IUPAC4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
SMILESNc1nn(CC2CC(F)(F)C2)cc1Cl
InChIInChI=1S/C8H10ClF2N3/c9-6-4-14(13-7(6)12)3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H2,12,13)
InChIKeyMEBKRDYNVDXXBQ-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.16
Rot. Bonds2

About 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine

4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine (PubChem CID 130859928) has the molecular formula C8H10ClF2N3 and a molecular weight of 221.64 g/mol. Its IUPAC name is 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
PubChem CID130859928
Molecular FormulaC8H10ClF2N3
Molecular Weight221.64 g/mol
Exact Mass221.05
IUPAC Name4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
SMILESNc1nn(CC2CC(F)(F)C2)cc1Cl
InChIInChI=1S/C8H10ClF2N3/c9-6-4-14(13-7(6)12)3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H2,12,13)
InChIKeyMEBKRDYNVDXXBQ-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
4-Chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazole
CID 132299639
4-Chloro-1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622832
4-chloro-1-(2-fluoroethyl)-1H-pyrazol-3-amine
CID 80695035
1-[(3,3-Difluorocyclobutyl)methyl]-1H-pyrazol-3-amine
CID 130813737
4-chloro-1-ethyl-1H-pyrazol-3-amine
CID 19576739
4-Chloro-1-(2,2,3,3-tetrafluoropropyl)-1H-pyrazol-3-amine
CID 19622831
4-Chloro-1-(difluoromethyl)-1H-pyrazol-3-amine
CID 64041253
4-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 64553760
4-Chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754279
4-Chloro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758415
4-chloro-1-(3-fluoropropyl)-1H-pyrazol-3-amine
CID 81107207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine (CID 130859928) is 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine is Nc1nn(CC2CC(F)(F)C2)cc1Cl.
What is the InChIKey of 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The InChIKey is MEBKRDYNVDXXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3/c9-6-4-14(13-7(6)12)3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H2,12,13).
What are the key properties of 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine has a molecular weight of 221.64 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 130859928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).