methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate

C19H21N5O3 — CID 134431063

IUPACmethyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cc3nc(C(=O)N(C)C)cc(C)n3n2)c(C)c1
InChIInChI=1S/C19H21N5O3/c1-11-8-13(20-19(26)27-5)6-7-14(11)15-10-17-21-16(18(25)23(3)4)9-12(2)24(17)22-15/h6-10H,1-5H3,(H,20,26)
InChIKeyQIDVEYRBLQFUSP-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.89
Rot. Bonds3

About methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate

methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate (PubChem CID 134431063) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate
PubChem CID134431063
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Namemethyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cc3nc(C(=O)N(C)C)cc(C)n3n2)c(C)c1
InChIInChI=1S/C19H21N5O3/c1-11-8-13(20-19(26)27-5)6-7-14(11)15-10-17-21-16(18(25)23(3)4)9-12(2)24(17)22-15/h6-10H,1-5H3,(H,20,26)
InChIKeyQIDVEYRBLQFUSP-UHFFFAOYSA-N
XLogP2.89
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 134431061
2-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]cyclopropane-1-carboxylic acid
CID 134431246
2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;1-(deuterioamino)propan-2-one;methyl 2-[N-deuterio-4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylanilino]acetate
CID 158009172
[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]boronic acid;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 159130742
2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 159138640
N-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175376
N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040477
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
N-[2-(dimethylamino)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716905
N-(3-methoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040480
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate?
The IUPAC name of methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate (CID 134431063) is methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate?
The canonical SMILES for methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate is COC(=O)Nc1ccc(-c2cc3nc(C(=O)N(C)C)cc(C)n3n2)c(C)c1.
What is the InChIKey of methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate?
The InChIKey is QIDVEYRBLQFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-8-13(20-19(26)27-5)6-7-14(11)15-10-17-21-16(18(25)23(3)4)9-12(2)24(17)22-15/h6-10H,1-5H3,(H,20,26).
What are the key properties of methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate?
methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate has a molecular weight of 367.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[5-(dimethylcarbamoyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-3-methylphenyl]carbamate is sourced from PubChem (CID 134431063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).