4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C13H19F3N4O — CID 66122821

IUPAC4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CC(F)(F)F)C(C)C2CC2)c1N
InChIInChI=1S/C13H19F3N4O/c1-7-10(17)11(19(3)18-7)12(21)20(6-13(14,15)16)8(2)9-4-5-9/h8-9H,4-6,17H2,1-3H3
InChIKeyUDMBPWLELVUNCD-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.11
Rot. Bonds4

About 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 66122821) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID66122821
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CC(F)(F)F)C(C)C2CC2)c1N
InChIInChI=1S/C13H19F3N4O/c1-7-10(17)11(19(3)18-7)12(21)20(6-13(14,15)16)8(2)9-4-5-9/h8-9H,4-6,17H2,1-3H3
InChIKeyUDMBPWLELVUNCD-UHFFFAOYSA-N
XLogP2.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 66122821) is 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(CC(F)(F)F)C(C)C2CC2)c1N.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is UDMBPWLELVUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-7-10(17)11(19(3)18-7)12(21)20(6-13(14,15)16)8(2)9-4-5-9/h8-9H,4-6,17H2,1-3H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66122821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).