(3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate

C18H25F2N3O2 — CID 169169262

IUPAC(3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate
SMILESCn1nc(C2CCCC2)c(C2CC2)c1NC(=O)OC1CCC(F)(F)C1
InChIInChI=1S/C18H25F2N3O2/c1-23-16(21-17(24)25-13-8-9-18(19,20)10-13)14(11-6-7-11)15(22-23)12-4-2-3-5-12/h11-13H,2-10H2,1H3,(H,21,24)
InChIKeyAYXGHZIKUHBWAK-UHFFFAOYSA-N
MW353.41 g/mol
LogP4.69
Rot. Bonds4

About (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate

(3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate (PubChem CID 169169262) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate
PubChem CID169169262
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name(3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate
SMILESCn1nc(C2CCCC2)c(C2CC2)c1NC(=O)OC1CCC(F)(F)C1
InChIInChI=1S/C18H25F2N3O2/c1-23-16(21-17(24)25-13-8-9-18(19,20)10-13)14(11-6-7-11)15(22-23)12-4-2-3-5-12/h11-13H,2-10H2,1H3,(H,21,24)
InChIKeyAYXGHZIKUHBWAK-UHFFFAOYSA-N
XLogP4.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]amino]-(3-fluorocyclobutyl)oxymethanol
CID 169169261
cyclopropyl N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169263
2,2-difluoroethyl N-[4-cyclobutyl-3-[3-fluoro-3-(fluoromethyl)-1-methylcyclobutyl]-1-methylpyrazol-5-yl]carbamate
CID 169169283
2,2-difluoroethyl N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]carbamate
CID 169169293
[(1S)-1-cyclopropylethyl] N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169299
2,2-difluoroethyl N-[4-cyclobutyl-5-[(1R)-2,2-difluorocyclopropyl]-2-methylpyrazol-3-yl]carbamate
CID 169169301
(2-fluoro-2-methylpropyl) N-[4-cyclopropyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169306
(3,3-difluorocyclobutyl) N-[4-cyclobutyl-5-(3,3-difluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169315
(3,3-difluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate;2,2,2-trifluoroethyl N-[4-cyclobutyl-5-(3-ethyl-3-fluorocyclobutyl)-2-methylpyrazol-3-yl]carbamate
CID 169169319
(3,3-difluorocyclobutyl) N-[5-(3,3-difluorocyclobutyl)-2,4-dimethylpyrazol-3-yl]carbamate
CID 169169320
[3-(difluoromethyl)cyclobutyl] N-[3-(3,3-difluorocyclopentyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 169169322
(3-fluorocyclobutyl) N-[3-(3,3-difluorocyclobutyl)-1-methyl-4-propan-2-ylpyrazol-5-yl]carbamate
CID 169169336

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate?
The IUPAC name of (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate (CID 169169262) is (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate?
The canonical SMILES for (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate is Cn1nc(C2CCCC2)c(C2CC2)c1NC(=O)OC1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate?
The InChIKey is AYXGHZIKUHBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-23-16(21-17(24)25-13-8-9-18(19,20)10-13)14(11-6-7-11)15(22-23)12-4-2-3-5-12/h11-13H,2-10H2,1H3,(H,21,24).
What are the key properties of (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate?
(3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate has a molecular weight of 353.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl) N-(5-cyclopentyl-4-cyclopropyl-2-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 169169262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).