1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine

C12H21N3 — CID 103562440

IUPAC1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(C(C)C)C1
InChIInChI=1S/C12H21N3/c1-8(2)10-5-11(6-10)13-12-7-15(4)14-9(12)3/h7-8,10-11,13H,5-6H2,1-4H3
InChIKeyPNQZDKMMMMRYNY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds3

About 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine

1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine (PubChem CID 103562440) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
PubChem CID103562440
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(C(C)C)C1
InChIInChI=1S/C12H21N3/c1-8(2)10-5-11(6-10)13-12-7-15(4)14-9(12)3/h7-8,10-11,13H,5-6H2,1-4H3
InChIKeyPNQZDKMMMMRYNY-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine
CID 104955922
1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 102804176
N-(3-cyclopropylcyclohexyl)-1,3-dimethylpyrazol-4-amine
CID 104955790
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
CID 104956005
1,3-dimethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pyrazol-4-amine
CID 104955891
2-[(1,3-dimethylpyrazol-4-yl)amino]propan-1-ol
CID 130502699
N-(1,3-dimethylpyrazol-4-yl)-1-propylazepan-4-amine
CID 102804462
1,3-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-4-amine
CID 104955825
1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
CID 102805691
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
N-(1,3-dimethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 102804021
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine (CID 103562440) is 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine is Cc1nn(C)cc1NC1CC(C(C)C)C1.
What is the InChIKey of 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
The InChIKey is PNQZDKMMMMRYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)10-5-11(6-10)13-12-7-15(4)14-9(12)3/h7-8,10-11,13H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine?
1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine is sourced from PubChem (CID 103562440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).