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

C11H19F3N4 — CID 55008928

IUPAC4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CN
InChIInChI=1S/C11H19F3N4/c1-7(2)18(6-11(12,13)14)10-9(5-15)8(3)16-17(10)4/h7H,5-6,15H2,1-4H3
InChIKeyZRUBAHYOIYNNGG-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.96
Rot. Bonds4

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

4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55008928) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55008928
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CN
InChIInChI=1S/C11H19F3N4/c1-7(2)18(6-11(12,13)14)10-9(5-15)8(3)16-17(10)4/h7H,5-6,15H2,1-4H3
InChIKeyZRUBAHYOIYNNGG-UHFFFAOYSA-N
XLogP1.96
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(4-methylpiperazino)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 3796126
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-ethyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 85701622
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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55008928) is 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(CC(F)(F)F)C(C)C)c1CN.
What is the InChIKey of 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is ZRUBAHYOIYNNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-7(2)18(6-11(12,13)14)10-9(5-15)8(3)16-17(10)4/h7H,5-6,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 264.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55008928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).