3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

C13H15F2N5O2 — CID 170105411

IUPAC3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(OCC2CC(F)(F)C2)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H15F2N5O2/c1-20-9(12(21)17-10-2-3-16-18-10)4-11(19-20)22-7-8-5-13(14,15)6-8/h2-4,8H,5-7H2,1H3,(H2,16,17,18,21)
InChIKeyODTOTPIMRHRDJS-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.82
Rot. Bonds5

About 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide

3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (PubChem CID 170105411) has the molecular formula C13H15F2N5O2 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
PubChem CID170105411
Molecular FormulaC13H15F2N5O2
Molecular Weight311.29 g/mol
Exact Mass311.12
IUPAC Name3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(OCC2CC(F)(F)C2)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C13H15F2N5O2/c1-20-9(12(21)17-10-2-3-16-18-10)4-11(19-20)22-7-8-5-13(14,15)6-8/h2-4,8H,5-7H2,1H3,(H2,16,17,18,21)
InChIKeyODTOTPIMRHRDJS-UHFFFAOYSA-N
XLogP1.82
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.82
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
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
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 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide (CID 170105411) is 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is Cn1nc(OCC2CC(F)(F)C2)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is ODTOTPIMRHRDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O2/c1-20-9(12(21)17-10-2-3-16-18-10)4-11(19-20)22-7-8-5-13(14,15)6-8/h2-4,8H,5-7H2,1H3,(H2,16,17,18,21).
What are the key properties of 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide?
3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 170105411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).