methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate

C22H18N4O3 — CID 11303712

IUPACmethyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1
InChIInChI=1S/C22H18N4O3/c1-25(22(28)29-2)17-10-6-9-16(13-17)19-11-12-23-21-18(14-24-26(19)21)20(27)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyZKILDVVPZAIGLZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.83
Rot. Bonds4

About methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate

methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate (PubChem CID 11303712) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate
PubChem CID11303712
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Namemethyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1
InChIInChI=1S/C22H18N4O3/c1-25(22(28)29-2)17-10-6-9-16(13-17)19-11-12-23-21-18(14-24-26(19)21)20(27)15-7-4-3-5-8-15/h3-14H,1-2H3
InChIKeyZKILDVVPZAIGLZ-UHFFFAOYSA-N
XLogP3.83
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
CID 13476003
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylethanesulfonamide
CID 11618929
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylmethanesulfonamide
CID 11618626
N-methyl-N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]ethanesulfonamide
CID 11668965
N-(3-ethynylphenyl)-N-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 98413094
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-2-bromopropanamide
CID 57281182
N-[4-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]acetamide
CID 13476013
N-[2-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethyl]propanamide
CID 57280102
7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 46196965
N-[3-[3-(4-methoxybenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-prop-2-ynylethanesulfonamide
CID 11511222
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
CID 23649037
N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11627027

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate (CID 11303712) is methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate is COC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4ccccc4)cnn23)c1.
What is the InChIKey of methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate?
The InChIKey is ZKILDVVPZAIGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-25(22(28)29-2)17-10-6-9-16(13-17)19-11-12-23-21-18(14-24-26(19)21)20(27)15-7-4-3-5-8-15/h3-14H,1-2H3.
What are the key properties of methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate?
methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate has a molecular weight of 386.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 11303712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).