3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane

C18H25ClF2N6O5 — CID 164879720

IUPAC3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane
SMILESC1CCOC1.CC1(NC(=O)O)CC1.Cn1nc(OC(F)(F)Cl)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8ClF2N5O2.C5H9NO2.C4H8O/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h2-4H,1H3,(H2,13,14,15,18);6H,2-3H2,1H3,(H,7,8);1-4H2
InChIKeyMLONRSSEXCUIPC-UHFFFAOYSA-N
MW478.88 g/mol
LogP3.17
Rot. Bonds5

About 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane

3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane (PubChem CID 164879720) has the molecular formula C18H25ClF2N6O5 and a molecular weight of 478.88 g/mol. Its IUPAC name is 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane.

Molecular Properties

Compound Name3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane
PubChem CID164879720
Molecular FormulaC18H25ClF2N6O5
Molecular Weight478.88 g/mol
Exact Mass478.15
IUPAC Name3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane
SMILESC1CCOC1.CC1(NC(=O)O)CC1.Cn1nc(OC(F)(F)Cl)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8ClF2N5O2.C5H9NO2.C4H8O/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h2-4H,1H3,(H2,13,14,15,18);6H,2-3H2,1H3,(H,7,8);1-4H2
InChIKeyMLONRSSEXCUIPC-UHFFFAOYSA-N
XLogP3.17
TPSA143.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.88
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 169142669
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
(1-methylcyclopropyl)carbamic acid;oxolane;1-oxo-N-(1H-pyrazol-5-yl)-3,4-dihydroisochromene-3-carboxamide
CID 169143558
cyclopentane;fluoromethane;(1-methylcyclopropyl)carbamic acid;2-(3-methyl-1,2-oxazol-5-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 169142898
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;(1-methylcyclopropyl)carbamic acid;oxolane
CID 169141362
3-methyl-N-(1H-pyrazol-5-yl)triazole-4-carboxamide
CID 175923694
cyclopentane;2-(1,1-difluoropropyl)-N-(1H-pyrazol-5-yl)pyrimidin-4-amine;(1-methylcyclopropyl)carbamic acid;molecular hydrogen
CID 168894925
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61393253
2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
CID 126995468
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane?
The IUPAC name of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane (CID 164879720) is 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane.
What is the SMILES notation for 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane?
The canonical SMILES for 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane is C1CCOC1.CC1(NC(=O)O)CC1.Cn1nc(OC(F)(F)Cl)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane?
The InChIKey is MLONRSSEXCUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N5O2.C5H9NO2.C4H8O/c1-17-5(4-7(16-17)19-9(10,11)12)8(18)14-6-2-3-13-15-6;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h2-4H,1H3,(H2,13,14,15,18);6H,2-3H2,1H3,(H,7,8);1-4H2.
What are the key properties of 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane?
3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane has a molecular weight of 478.88 g/mol, XLogP of 3.17, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(difluoro)methoxy]-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;(1-methylcyclopropyl)carbamic acid;oxolane is sourced from PubChem (CID 164879720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).