N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C10H14F3N3O2 — CID 54877509

IUPACN-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6-8(7(2)15-14-6)9(18)16(3-4-17)5-10(11,12)13/h17H,3-5H2,1-2H3,(H,14,15)
InChIKeyNODYVFMDMAZNOV-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.02
Rot. Bonds4

About N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 54877509) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID54877509
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-6-8(7(2)15-14-6)9(18)16(3-4-17)5-10(11,12)13/h17H,3-5H2,1-2H3,(H,14,15)
InChIKeyNODYVFMDMAZNOV-UHFFFAOYSA-N
XLogP1.02
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 54877509) is N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NODYVFMDMAZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6-8(7(2)15-14-6)9(18)16(3-4-17)5-10(11,12)13/h17H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54877509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).