7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H22N8O — CID 19441266

IUPAC7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)N(C)Cc4ccnn4C)nn23)c1C
InChIInChI=1S/C19H22N8O/c1-5-26-13(2)15(11-22-26)17-7-8-20-18-10-16(23-27(17)18)19(28)24(3)12-14-6-9-21-25(14)4/h6-11H,5,12H2,1-4H3
InChIKeyDMMDHHYJROBXSR-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.93
Rot. Bonds5

About 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441266) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441266
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(-c2ccnc3cc(C(=O)N(C)Cc4ccnn4C)nn23)c1C
InChIInChI=1S/C19H22N8O/c1-5-26-13(2)15(11-22-26)17-7-8-20-18-10-16(23-27(17)18)19(28)24(3)12-14-6-9-21-25(14)4/h6-11H,5,12H2,1-4H3
InChIKeyDMMDHHYJROBXSR-UHFFFAOYSA-N
XLogP1.93
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441266) is 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(-c2ccnc3cc(C(=O)N(C)Cc4ccnn4C)nn23)c1C.
What is the InChIKey of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DMMDHHYJROBXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-5-26-13(2)15(11-22-26)17-7-8-20-18-10-16(23-27(17)18)19(28)24(3)12-14-6-9-21-25(14)4/h6-11H,5,12H2,1-4H3.
What are the key properties of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).