1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C12H21F3N4 — CID 55008876

IUPAC1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N4/c1-8(2)19(7-12(13,14)15)11-10(6-16-4)9(3)17-18(11)5/h8,16H,6-7H2,1-5H3
InChIKeyYWSKLSNRYRXVNS-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.23
Rot. Bonds5

About 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55008876) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55008876
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N4/c1-8(2)19(7-12(13,14)15)11-10(6-16-4)9(3)17-18(11)5/h8,16H,6-7H2,1-5H3
InChIKeyYWSKLSNRYRXVNS-UHFFFAOYSA-N
XLogP2.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 1485639
N,N-diethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 12479247
5-Amino-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 22079581
1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
N-isopropyl-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 71633044
5-Amino-1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100762268
5-Amino-1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100763031
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
[2,5-Dimethyl-4-(trifluoromethyl)pyrazol-3-yl]diazene
CID 123741441
2-cyclopentyl-N,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 139354629
1-Tert-butyl-5-(methylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697474

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55008876) is 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CNCc1c(C)nn(C)c1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is YWSKLSNRYRXVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-8(2)19(7-12(13,14)15)11-10(6-16-4)9(3)17-18(11)5/h8,16H,6-7H2,1-5H3.
What are the key properties of 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 278.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55008876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).