propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate

C19H28N4O2 — CID 75385482

IUPACpropan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1ccc(NCc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C19H28N4O2/c1-14(2)25-18(24)21-10-15-6-8-17(9-7-15)20-11-16-12-22-23(13-16)19(3,4)5/h6-9,12-14,20H,10-11H2,1-5H3,(H,21,24)
InChIKeyXSKMDGYKSQCMAO-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.88
Rot. Bonds6

About propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate

propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate (PubChem CID 75385482) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate
PubChem CID75385482
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Namepropan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate
SMILESCC(C)OC(=O)NCc1ccc(NCc2cnn(C(C)(C)C)c2)cc1
InChIInChI=1S/C19H28N4O2/c1-14(2)25-18(24)21-10-15-6-8-17(9-7-15)20-11-16-12-22-23(13-16)19(3,4)5/h6-9,12-14,20H,10-11H2,1-5H3,(H,21,24)
InChIKeyXSKMDGYKSQCMAO-UHFFFAOYSA-N
XLogP3.88
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate?
The IUPAC name of propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate (CID 75385482) is propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate?
The canonical SMILES for propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate is CC(C)OC(=O)NCc1ccc(NCc2cnn(C(C)(C)C)c2)cc1.
What is the InChIKey of propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate?
The InChIKey is XSKMDGYKSQCMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)25-18(24)21-10-15-6-8-17(9-7-15)20-11-16-12-22-23(13-16)19(3,4)5/h6-9,12-14,20H,10-11H2,1-5H3,(H,21,24).
What are the key properties of propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate?
propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate has a molecular weight of 344.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[4-[(1-tert-butylpyrazol-4-yl)methylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 75385482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).