(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane

C18H25F3N6O5 — CID 164879381

IUPAC(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane
SMILESC1CCOC1.CC1(NC(=O)O)CC1.Cn1nc(OC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8F3N5O2.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
InChIKeyVPJBLEDDAIFMLG-UHFFFAOYSA-N
MW462.43 g/mol
LogP2.90
Rot. Bonds4

About (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane

(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane (PubChem CID 164879381) has the molecular formula C18H25F3N6O5 and a molecular weight of 462.43 g/mol. Its IUPAC name is (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane.

Molecular Properties

Compound Name(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane
PubChem CID164879381
Molecular FormulaC18H25F3N6O5
Molecular Weight462.43 g/mol
Exact Mass462.18
IUPAC Name(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane
SMILESC1CCOC1.CC1(NC(=O)O)CC1.Cn1nc(OC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H8F3N5O2.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
InChIKeyVPJBLEDDAIFMLG-UHFFFAOYSA-N
XLogP2.90
TPSA143.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
3-(2,2-difluoropropoxy)-1-methyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide;oxolane
CID 169142668
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
CID 169142735

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane?
The IUPAC name of (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane (CID 164879381) is (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane.
What is the SMILES notation for (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane?
The canonical SMILES for (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane is C1CCOC1.CC1(NC(=O)O)CC1.Cn1nc(OC(F)(F)F)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane?
The InChIKey is VPJBLEDDAIFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2.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 (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane?
(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane has a molecular weight of 462.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(trifluoromethoxy)pyrazole-5-carboxamide;oxolane is sourced from PubChem (CID 164879381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).