3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine

C13H16F3N5 — CID 122167900

IUPAC3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C13H16F3N5/c1-20-11(5-10(19-20)8-3-4-8)17-6-9-7-18-21(2)12(9)13(14,15)16/h5,7-8,17H,3-4,6H2,1-2H3
InChIKeyXRZZDMHHUPTXIK-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.66
Rot. Bonds4

About 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine

3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine (PubChem CID 122167900) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine
PubChem CID122167900
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine
SMILESCn1nc(C2CC2)cc1NCc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C13H16F3N5/c1-20-11(5-10(19-20)8-3-4-8)17-6-9-7-18-21(2)12(9)13(14,15)16/h5,7-8,17H,3-4,6H2,1-2H3
InChIKeyXRZZDMHHUPTXIK-UHFFFAOYSA-N
XLogP2.66
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine (CID 122167900) is 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine is Cn1nc(C2CC2)cc1NCc1cnn(C)c1C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
The InChIKey is XRZZDMHHUPTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-20-11(5-10(19-20)8-3-4-8)17-6-9-7-18-21(2)12(9)13(14,15)16/h5,7-8,17H,3-4,6H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine?
3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine has a molecular weight of 299.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine is sourced from PubChem (CID 122167900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).