4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

C7H9F2N3 — CID 105435367

IUPAC4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCn1nc(N)c2c1CCC2(F)F
InChIInChI=1S/C7H9F2N3/c1-12-4-2-3-7(8,9)5(4)6(10)11-12/h2-3H2,1H3,(H2,10,11)
InChIKeySLCGJMHKEYZBAE-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.04
Rot. Bonds

About 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine

4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (PubChem CID 105435367) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
PubChem CID105435367
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine
SMILESCn1nc(N)c2c1CCC2(F)F
InChIInChI=1S/C7H9F2N3/c1-12-4-2-3-7(8,9)5(4)6(10)11-12/h2-3H2,1H3,(H2,10,11)
InChIKeySLCGJMHKEYZBAE-UHFFFAOYSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mls002707355
CID 276384
2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
CID 16227065
3-Ethyl-1,4-dimethyl-1H-pyrazol-5-amine hydrochloride
CID 16192886
3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine
CID 1128420
3-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]propan-1-amine
CID 19614695
2-(propan-2-yl)-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
CID 65348359
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 22101084
5,5-difluoro-2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 165463441
3,4-Diethyl-1-methyl-1H-pyrazol-5-amine
CID 28064035
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanesulfonamide
CID 127920482
1,4-dimethyl-3-(pentafluoroethyl)-1H-pyrazole-5-amine
CID 58542574
2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 90162068

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The IUPAC name of 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine (CID 105435367) is 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is Cn1nc(N)c2c1CCC2(F)F.
What is the InChIKey of 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
The InChIKey is SLCGJMHKEYZBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c1-12-4-2-3-7(8,9)5(4)6(10)11-12/h2-3H2,1H3,(H2,10,11).
What are the key properties of 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine?
4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine has a molecular weight of 173.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-5,6-dihydrocyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 105435367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).