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

C20H24N8O — CID 19441256

IUPAC7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cc3nccc(-c4cnn(CC)c4C)n3n2)cn1
InChIInChI=1S/C20H24N8O/c1-5-26-13-15(10-22-26)12-25(4)20(29)17-9-19-21-8-7-18(28(19)24-17)16-11-23-27(6-2)14(16)3/h7-11,13H,5-6,12H2,1-4H3
InChIKeyWBFAMEXQLYARMA-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.41
Rot. Bonds6

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

7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19441256) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19441256
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cc3nccc(-c4cnn(CC)c4C)n3n2)cn1
InChIInChI=1S/C20H24N8O/c1-5-26-13-15(10-22-26)12-25(4)20(29)17-9-19-21-8-7-18(28(19)24-17)16-11-23-27(6-2)14(16)3/h7-11,13H,5-6,12H2,1-4H3
InChIKeyWBFAMEXQLYARMA-UHFFFAOYSA-N
XLogP2.41
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.41
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-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19441256) is 7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(CN(C)C(=O)c2cc3nccc(-c4cnn(CC)c4C)n3n2)cn1.
What is the InChIKey of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WBFAMEXQLYARMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-5-26-13-15(10-22-26)12-25(4)20(29)17-9-19-21-8-7-18(28(19)24-17)16-11-23-27(6-2)14(16)3/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of 7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 2.41, 6 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-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19441256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).