tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate

C19H28N4O2 — CID 114267998

IUPACtert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate
SMILESCC(CNCc1cn[nH]c1-c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O2/c1-14(23(5)18(24)25-19(2,3)4)11-20-12-16-13-21-22-17(16)15-9-7-6-8-10-15/h6-10,13-14,20H,11-12H2,1-5H3,(H,21,22)
InChIKeyPHSRKQFOZBVVMS-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.42
Rot. Bonds6

About tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate

tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate (PubChem CID 114267998) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate
PubChem CID114267998
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nametert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate
SMILESCC(CNCc1cn[nH]c1-c1ccccc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N4O2/c1-14(23(5)18(24)25-19(2,3)4)11-20-12-16-13-21-22-17(16)15-9-7-6-8-10-15/h6-10,13-14,20H,11-12H2,1-5H3,(H,21,22)
InChIKeyPHSRKQFOZBVVMS-UHFFFAOYSA-N
XLogP3.42
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoate
CID 119138574
2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655543
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
N,2,2-trimethyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103824423
methyl (2S)-3-methyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 61142712
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602
ethyl 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 64578922
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
N'-(2-methoxyethyl)-N'-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62843067
tert-butyl N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate (CID 114267998) is tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate is CC(CNCc1cn[nH]c1-c1ccccc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate?
The InChIKey is PHSRKQFOZBVVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(23(5)18(24)25-19(2,3)4)11-20-12-16-13-21-22-17(16)15-9-7-6-8-10-15/h6-10,13-14,20H,11-12H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate?
tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate has a molecular weight of 344.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 114267998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).