methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate

C12H16F3N3O2 — CID 122633604

IUPACmethyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C12H16F3N3O2/c1-7-5-10(12(13,14)15)17-18(7)9-4-3-8(6-9)16-11(19)20-2/h5,8-9H,3-4,6H2,1-2H3,(H,16,19)
InChIKeyXPTLRVWXYMAJTD-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.66
Rot. Bonds2

About methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate

methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate (PubChem CID 122633604) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
PubChem CID122633604
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Namemethyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)C1
InChIInChI=1S/C12H16F3N3O2/c1-7-5-10(12(13,14)15)17-18(7)9-4-3-8(6-9)16-11(19)20-2/h5,8-9H,3-4,6H2,1-2H3,(H,16,19)
InChIKeyXPTLRVWXYMAJTD-UHFFFAOYSA-N
XLogP2.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
N-butyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 1877172
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 5241859
tert-butyl ((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)methyl)carbamate
CID 75175985
N-(1-methoxypropan-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 5147591
methyl N-[(2S)-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]-1-oxopropan-2-yl]carbamate
CID 100191654
Ethyl 4-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 132460238
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-isopropylacetamide
CID 832051
[1-(Cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
CID 67496786
tert-butyl N-[[2-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]carbamate
CID 68057817
[1-Pentyl-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
CID 68299541
tert-Butyl (1-(cyclopropylmethyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methylcarbamate
CID 69906290

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The IUPAC name of methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate (CID 122633604) is methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate.
What is the SMILES notation for methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The canonical SMILES for methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate is COC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)C1.
What is the InChIKey of methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
The InChIKey is XPTLRVWXYMAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7-5-10(12(13,14)15)17-18(7)9-4-3-8(6-9)16-11(19)20-2/h5,8-9H,3-4,6H2,1-2H3,(H,16,19).
What are the key properties of methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate?
methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate has a molecular weight of 291.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentyl]carbamate is sourced from PubChem (CID 122633604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).