tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate

C17H22N4O4 — CID 126827802

IUPACtert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
SMILESCOCn1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cn1
InChIInChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)20-13-7-5-12(6-8-13)15(22)19-14-9-18-21(10-14)11-24-4/h5-10H,11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGPHAGFHXCURABL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate (PubChem CID 126827802) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
PubChem CID126827802
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Nametert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
SMILESCOCn1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cn1
InChIInChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)20-13-7-5-12(6-8-13)15(22)19-14-9-18-21(10-14)11-24-4/h5-10H,11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyGPHAGFHXCURABL-UHFFFAOYSA-N
XLogP3.09
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 19411100
tert-butyl N-(1-ethylpyrazol-4-yl)carbamate
CID 65142970
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]hexanoate
CID 31840944
2-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazol-1-yl]methyl]phenyl]acetic acid
CID 121207712
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate (CID 126827802) is tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate is COCn1cc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cn1.
What is the InChIKey of tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate?
The InChIKey is GPHAGFHXCURABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-17(2,3)25-16(23)20-13-7-5-12(6-8-13)15(22)19-14-9-18-21(10-14)11-24-4/h5-10H,11H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate has a molecular weight of 346.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 126827802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).