cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

C20H29F3N6O4 — CID 169140830

IUPACcyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESC1CCCC1.CC1(NC(=O)O)CC1.Cn1nc(OCC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C10H10F3N5O2.C5H9NO2.C5H10/c1-18-6(9(19)15-7-2-3-14-16-7)4-8(17-18)20-5-10(11,12)13;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h2-4H,5H2,1H3,(H2,14,15,16,19);6H,2-3H2,1H3,(H,7,8);1-5H2
InChIKeyYRHNLHMLZZLDPX-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.09
Rot. Bonds5

About cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide

cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (PubChem CID 169140830) has the molecular formula C20H29F3N6O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.

Molecular Properties

Compound Namecyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
PubChem CID169140830
Molecular FormulaC20H29F3N6O4
Molecular Weight474.48 g/mol
Exact Mass474.22
IUPAC Namecyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide
SMILESC1CCCC1.CC1(NC(=O)O)CC1.Cn1nc(OCC(F)(F)F)cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C10H10F3N5O2.C5H9NO2.C5H10/c1-18-6(9(19)15-7-2-3-14-16-7)4-8(17-18)20-5-10(11,12)13;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h2-4H,5H2,1H3,(H2,14,15,16,19);6H,2-3H2,1H3,(H,7,8);1-5H2
InChIKeyYRHNLHMLZZLDPX-UHFFFAOYSA-N
XLogP4.09
TPSA134.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(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
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 cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The IUPAC name of cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide (CID 169140830) is cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide.
What is the SMILES notation for cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The canonical SMILES for cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is C1CCCC1.CC1(NC(=O)O)CC1.Cn1nc(OCC(F)(F)F)cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
The InChIKey is YRHNLHMLZZLDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2.C5H9NO2.C5H10/c1-18-6(9(19)15-7-2-3-14-16-7)4-8(17-18)20-5-10(11,12)13;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h2-4H,5H2,1H3,(H2,14,15,16,19);6H,2-3H2,1H3,(H,7,8);1-5H2.
What are the key properties of cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide?
cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;(1-methylcyclopropyl)carbamic acid;1-methyl-N-(1H-pyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxamide is sourced from PubChem (CID 169140830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).