3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane

C15H21F2N5O3 — CID 169142668

IUPAC3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane
SMILESC1CCOC1.Cn1nc(OCC(C)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H13F2N5O2.C4H8O/c1-11(12,13)6-20-9-5-7(18(2)17-9)10(19)15-8-3-4-14-16-8;1-2-4-5-3-1/h3-5H,6H2,1-2H3,(H2,14,15,16,19);1-4H2
InChIKeyHOHZORBQDTYWKH-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.23
Rot. Bonds5

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

3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane (PubChem CID 169142668) has the molecular formula C15H21F2N5O3 and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane.

Molecular Properties

Compound Name3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane
PubChem CID169142668
Molecular FormulaC15H21F2N5O3
Molecular Weight357.36 g/mol
Exact Mass357.16
IUPAC Name3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane
SMILESC1CCOC1.Cn1nc(OCC(C)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H13F2N5O2.C4H8O/c1-11(12,13)6-20-9-5-7(18(2)17-9)10(19)15-8-3-4-14-16-8;1-2-4-5-3-1/h3-5H,6H2,1-2H3,(H2,14,15,16,19);1-4H2
InChIKeyHOHZORBQDTYWKH-UHFFFAOYSA-N
XLogP2.23
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 164880261
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane?
The IUPAC name of 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane (CID 169142668) is 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane.
What is the SMILES notation for 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane?
The canonical SMILES for 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane is C1CCOC1.Cn1nc(OCC(C)(F)F)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane?
The InChIKey is HOHZORBQDTYWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2.C4H8O/c1-11(12,13)6-20-9-5-7(18(2)17-9)10(19)15-8-3-4-14-16-8;1-2-4-5-3-1/h3-5H,6H2,1-2H3,(H2,14,15,16,19);1-4H2.
What are the key properties of 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane?
3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane has a molecular weight of 357.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane is sourced from PubChem (CID 169142668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).