tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate

C20H26F2N4O2 — CID 146203721

IUPACtert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1
InChIInChI=1S/C20H26F2N4O2/c1-20(2,3)28-19(27)23-10-14-11-24-25(12-14)13-17-5-4-6-26(17)18-8-15(21)7-16(22)9-18/h7-9,11-12,17H,4-6,10,13H2,1-3H3,(H,23,27)
InChIKeyUCTARKBSJBTKGF-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.86
Rot. Bonds5

About tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate

tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate (PubChem CID 146203721) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate
PubChem CID146203721
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Nametert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1
InChIInChI=1S/C20H26F2N4O2/c1-20(2,3)28-19(27)23-10-14-11-24-25(12-14)13-17-5-4-6-26(17)18-8-15(21)7-16(22)9-18/h7-9,11-12,17H,4-6,10,13H2,1-3H3,(H,23,27)
InChIKeyUCTARKBSJBTKGF-UHFFFAOYSA-N
XLogP3.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate with MolForge

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Related Compounds

[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methanamine
CID 146195331
2-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 153355641
tert-butyl N-[[1-(cyclopropylmethyl)pyrazol-4-yl]methylamino]carbamate
CID 166560021
tert-butyl N-[[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]carbamate
CID 58393262
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
tert-butyl N-[[1-[[4-(hydroxymethyl)phenyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 110006016
tert-butyl N-[(1-pyrrolidin-3-ylpyrazol-4-yl)methyl]carbamate
CID 175100182
tert-butyl N-[[1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methyl]carbamate
CID 133464758
tert-butyl N-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]carbamate
CID 133403597
tert-butyl N-[[(2R)-1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]carbamate
CID 97176839
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
tert-butyl N-[[1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]carbamate
CID 71648579

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate (CID 146203721) is tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cnn(CC2CCCN2c2cc(F)cc(F)c2)c1.
What is the InChIKey of tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate?
The InChIKey is UCTARKBSJBTKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-20(2,3)28-19(27)23-10-14-11-24-25(12-14)13-17-5-4-6-26(17)18-8-15(21)7-16(22)9-18/h7-9,11-12,17H,4-6,10,13H2,1-3H3,(H,23,27).
What are the key properties of tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate?
tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate has a molecular weight of 392.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]carbamate is sourced from PubChem (CID 146203721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).