4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C11H19F3N4 — CID 63794490

IUPAC4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CC(C)N
InChIInChI=1S/C11H19F3N4/c1-7(15)5-9-8(2)16-18(4)10(9)17(3)6-11(12,13)14/h7H,5-6,15H2,1-4H3
InChIKeyQWSSGTBGEKBQGV-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.62
Rot. Bonds4

About 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63794490) has the molecular formula C11H19F3N4 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63794490
Molecular FormulaC11H19F3N4
Molecular Weight264.30 g/mol
Exact Mass264.16
IUPAC Name4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(F)(F)F)c1CC(C)N
InChIInChI=1S/C11H19F3N4/c1-7(15)5-9-8(2)16-18(4)10(9)17(3)6-11(12,13)14/h7H,5-6,15H2,1-4H3
InChIKeyQWSSGTBGEKBQGV-UHFFFAOYSA-N
XLogP1.62
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
1-cyclopropyl-N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]piperidin-4-amine
CID 53544281
1-(cyclopropylmethyl)-N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]piperidin-4-amine
CID 53619642
1,3-dimethyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridin-5-amine dihydrochloride
CID 137248458
1,3-Dimethyl-1H,4H,5H,6H,7H-pyrazolo[3,4-B]pyridin-5-amine
CID 135833149
2-(2,2,2-Trifluoroethyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 118340615
4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine
CID 123214339
2-Cyclopentyl-4-methyl-5-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 144862318
3-Ethyl-N,N,1,4-tetramethyl-1H-pyrazol-5-amine
CID 45088934
1-Methyl-4-propyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783366
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63794490) is 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CC(F)(F)F)c1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is QWSSGTBGEKBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-7(15)5-9-8(2)16-18(4)10(9)17(3)6-11(12,13)14/h7H,5-6,15H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 264.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63794490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).