1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

C10H10F3N5O2 — CID 164880261

IUPAC1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESCn1nc(OCC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C10H10F3N5O2/c1-18-6(9(19)15-7-2-3-14-16-7)4-8(17-18)20-5-10(11,12)13/h2-4H,5H2,1H3,(H2,14,15,16,19)
InChIKeyBIKZEPCTXHYEQP-UHFFFAOYSA-N
MW289.22 g/mol
LogP1.34
Rot. Bonds4

About 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (PubChem CID 164880261) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
PubChem CID164880261
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESCn1nc(OCC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C10H10F3N5O2/c1-18-6(9(19)15-7-2-3-14-16-7)4-8(17-18)20-5-10(11,12)13/h2-4H,5H2,1H3,(H2,14,15,16,19)
InChIKeyBIKZEPCTXHYEQP-UHFFFAOYSA-N
XLogP1.34
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 132296312
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 132298805
(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane
CID 164879381
3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 164879721
3-(2,2-difluoroethoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 164879741
N-(2-tert-butylpyrazol-3-yl)-1-methyl-3-(trifluoromethoxy)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane
CID 164879918
cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 169140830
3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 169141444
1-bicyclo[1.1.0]butanylcarbamic acid;cyclopentane;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 169141870
3-fluorooxolane;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide;propan-2-ylcarbamic acid
CID 169141953
N-(2-tert-butylpyrazol-3-yl)-3-[chloro(difluoro)methoxy]-1-methylpyrazole-5-carboxamide
CID 169142212
1-bicyclo[1.1.0]butanylcarbamic acid;oxolane;1-propan-2-yl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 169142520

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (CID 164880261) is 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is Cn1nc(OCC(F)(F)F)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The InChIKey is BIKZEPCTXHYEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-18-6(9(19)15-7-2-3-14-16-7)4-8(17-18)20-5-10(11,12)13/h2-4H,5H2,1H3,(H2,14,15,16,19).
What are the key properties of 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide has a molecular weight of 289.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is sourced from PubChem (CID 164880261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).