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

C11H13F2N5O2 — CID 169142669

IUPAC3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(OCC(C)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H13F2N5O2/c1-11(12,13)6-20-9-5-7(18(2)17-9)10(19)15-8-3-4-14-16-8/h3-5H,6H2,1-2H3,(H2,14,15,16,19)
InChIKeyGRRUEFPKZRJTRU-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.43
Rot. Bonds5

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

3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (PubChem CID 169142669) has the molecular formula C11H13F2N5O2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
PubChem CID169142669
Molecular FormulaC11H13F2N5O2
Molecular Weight285.25 g/mol
Exact Mass285.10
IUPAC Name3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(OCC(C)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C11H13F2N5O2/c1-11(12,13)6-20-9-5-7(18(2)17-9)10(19)15-8-3-4-14-16-8/h3-5H,6H2,1-2H3,(H2,14,15,16,19)
InChIKeyGRRUEFPKZRJTRU-UHFFFAOYSA-N
XLogP1.43
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluorooxolane;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide;propan-2-ylcarbamic acid
CID 169141953
1-methyl-3-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 170951861
3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane
CID 164879720
3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide
CID 175923694
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
1-propyl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61394373
2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
CID 126995468
2-(2-hydroxyethyl)-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 175923670
3-(2,2-difluoroethoxy)-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 169141444
1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61393253
2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393876
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (CID 169142669) is 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is 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?
The InChIKey is GRRUEFPKZRJTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2/c1-11(12,13)6-20-9-5-7(18(2)17-9)10(19)15-8-3-4-14-16-8/h3-5H,6H2,1-2H3,(H2,14,15,16,19).
What are the key properties of 3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 169142669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).