[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate

C20H30N4O2 — CID 44589858

IUPAC[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate
SMILESCC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccncc2)C(C)C)n1
InChIInChI=1S/C20H30N4O2/c1-13(2)17-11-18(14(3)4)24(23-17)12-19(15(5)6)26-20(25)22-16-7-9-21-10-8-16/h7-11,13-15,19H,12H2,1-6H3,(H,21,22,25)/t19-/m0/s1
InChIKeyNLSHEHOMEKRJEF-IBGZPJMESA-N
MW358.49 g/mol
LogP4.80
Rot. Bonds7

About [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate (PubChem CID 44589858) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate
PubChem CID44589858
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate
SMILESCC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccncc2)C(C)C)n1
InChIInChI=1S/C20H30N4O2/c1-13(2)17-11-18(14(3)4)24(23-17)12-19(15(5)6)26-20(25)22-16-7-9-21-10-8-16/h7-11,13-15,19H,12H2,1-6H3,(H,21,22,25)/t19-/m0/s1
InChIKeyNLSHEHOMEKRJEF-IBGZPJMESA-N
XLogP4.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate?
The IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate (CID 44589858) is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate.
What is the SMILES notation for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate?
The canonical SMILES for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate is CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccncc2)C(C)C)n1.
What is the InChIKey of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate?
The InChIKey is NLSHEHOMEKRJEF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13(2)17-11-18(14(3)4)24(23-17)12-19(15(5)6)26-20(25)22-16-7-9-21-10-8-16/h7-11,13-15,19H,12H2,1-6H3,(H,21,22,25)/t19-/m0/s1.
What are the key properties of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate?
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate has a molecular weight of 358.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-pyridin-4-ylcarbamate is sourced from PubChem (CID 44589858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).