4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine

C14H21F2N3 — CID 169169270

IUPAC4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(C2CCC2)c1C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3/c1-19-12(10-5-7-14(15,16)8-6-10)11(13(17)18-19)9-3-2-4-9/h9-10H,2-8H2,1H3,(H2,17,18)
InChIKeyZPCVUDZROYRXJK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.56
Rot. Bonds2

About 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine

4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine (PubChem CID 169169270) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
PubChem CID169169270
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(C2CCC2)c1C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3/c1-19-12(10-5-7-14(15,16)8-6-10)11(13(17)18-19)9-3-2-4-9/h9-10H,2-8H2,1H3,(H2,17,18)
InChIKeyZPCVUDZROYRXJK-UHFFFAOYSA-N
XLogP3.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 52903608
1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 71668509
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
1,4-dimethyl-3-(pentafluoroethyl)-1H-pyrazole-5-amine
CID 58542574
(2S,4R)-5,5-difluoro-7-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-amine
CID 118971755
1-(1,3-Difluoropropan-2-yl)-4-[(4-ethylcyclohexa-1,3-dien-1-yl)methyl]-5-(trifluoromethyl)pyrazol-3-amine
CID 142950375
3-ethyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155436160
4,4-difluoro-3-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155453723
3-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 155453729
3-cyclopropyl-4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-amine
CID 164531253
3-(3,3-difluorocyclobutyl)-1-methyl-1H-pyrazol-5-amine
CID 165659882

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine (CID 169169270) is 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine is Cn1nc(N)c(C2CCC2)c1C1CCC(F)(F)CC1.
What is the InChIKey of 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine?
The InChIKey is ZPCVUDZROYRXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-19-12(10-5-7-14(15,16)8-6-10)11(13(17)18-19)9-3-2-4-9/h9-10H,2-8H2,1H3,(H2,17,18).
What are the key properties of 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine?
4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine has a molecular weight of 269.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 169169270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).