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

C8H11F2N3 — CID 130813737

IUPAC1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
SMILESNc1ccn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N3/c9-8(10)3-6(4-8)5-13-2-1-7(11)12-13/h1-2,6H,3-5H2,(H2,11,12)
InChIKeyYFCOGPOTGCMCBS-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.51
Rot. Bonds2

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

1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine (PubChem CID 130813737) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
PubChem CID130813737
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine
SMILESNc1ccn(CC2CC(F)(F)C2)n1
InChIInChI=1S/C8H11F2N3/c9-8(10)3-6(4-8)5-13-2-1-7(11)12-13/h1-2,6H,3-5H2,(H2,11,12)
InChIKeyYFCOGPOTGCMCBS-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-propyl-1H-pyrazol-3-amine
CID 7017771
1-cyclohexyl-1H-pyrazol-3-amine
CID 12486716
1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
1-(2-methylpropyl)-1H-pyrazol-3-amine
CID 19619839
1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622830
1-(2-fluoroethyl)-1H-pyrazol-5-amine
CID 21904553
1-(2,2-difluoroethyl)-1H-pyrazol-5-amine
CID 25247695
1-(cyclopropylmethyl)-1H-pyrazol-3-amine
CID 25247756
1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 50896592
1-(difluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 53629698
1-(Trifluoromethyl)-1H-pyrazol-3-amine
CID 67295555

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine (CID 130813737) is 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine is Nc1ccn(CC2CC(F)(F)C2)n1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
The InChIKey is YFCOGPOTGCMCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-8(10)3-6(4-8)5-13-2-1-7(11)12-13/h1-2,6H,3-5H2,(H2,11,12).
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine?
1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine has a molecular weight of 187.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 130813737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).