[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate

C19H22F2N4O3 — CID 11440749

IUPAC[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
SMILESCC(C)C(=O)Nc1cc(C2CC(OC(=O)NCc3c(F)cccc3F)C2)[nH]n1
InChIInChI=1S/C19H22F2N4O3/c1-10(2)18(26)23-17-8-16(24-25-17)11-6-12(7-11)28-19(27)22-9-13-14(20)4-3-5-15(13)21/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyHPUZBDHGPWCHNJ-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.45
Rot. Bonds6

About [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate

[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate (PubChem CID 11440749) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
PubChem CID11440749
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
SMILESCC(C)C(=O)Nc1cc(C2CC(OC(=O)NCc3c(F)cccc3F)C2)[nH]n1
InChIInChI=1S/C19H22F2N4O3/c1-10(2)18(26)23-17-8-16(24-25-17)11-6-12(7-11)28-19(27)22-9-13-14(20)4-3-5-15(13)21/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyHPUZBDHGPWCHNJ-UHFFFAOYSA-N
XLogP3.45
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11189948
(1-ethylcyclobutyl)methyl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11385151
(3-ethyloxetan-3-yl)methyl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11408098
(1-ethylcyclopentyl)methyl N-[(3S)-1,2-dioxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11775397
[(1R,3S)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 168296883
[(1R,3S)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
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[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 168291741
isopropyl 4-[4-[2-(4-fluorophenyl)ethyl]-5-hydroxy-1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrazol-3-yl]piperidine-1-carboxylate
CID 163202268
US20250084067, Example 35
CID 176456481
ethyl 4-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}-4-oxobutanoate
CID 3139656
2-acetamido-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-3-methylbutanamide
CID 56826887
methyl N-[(2S)-3-methyl-1-[[5-[2-(2-methylphenyl)ethyl]-1H-pyrazol-3-yl]amino]-1-oxobutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
The IUPAC name of [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate (CID 11440749) is [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate.
What is the SMILES notation for [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
The canonical SMILES for [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate is CC(C)C(=O)Nc1cc(C2CC(OC(=O)NCc3c(F)cccc3F)C2)[nH]n1.
What is the InChIKey of [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
The InChIKey is HPUZBDHGPWCHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-10(2)18(26)23-17-8-16(24-25-17)11-6-12(7-11)28-19(27)22-9-13-14(20)4-3-5-15(13)21/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate?
[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate has a molecular weight of 392.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate is sourced from PubChem (CID 11440749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).