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

C21H22N6O — CID 19414793

IUPAC7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)NC(C)c4ccccc4)cnn23)c(C)n1
InChIInChI=1S/C21H22N6O/c1-4-26-13-18(15(3)25-26)19-10-11-22-20-17(12-23-27(19)20)21(28)24-14(2)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyQVKIDGLOZZFLDG-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.41
Rot. Bonds5

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

7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414793) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414793
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(-c2ccnc3c(C(=O)NC(C)c4ccccc4)cnn23)c(C)n1
InChIInChI=1S/C21H22N6O/c1-4-26-13-18(15(3)25-26)19-10-11-22-20-17(12-23-27(19)20)21(28)24-14(2)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3,(H,24,28)
InChIKeyQVKIDGLOZZFLDG-UHFFFAOYSA-N
XLogP3.41
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414793) is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)NC(C)c4ccccc4)cnn23)c(C)n1.
What is the InChIKey of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QVKIDGLOZZFLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-4-26-13-18(15(3)25-26)19-10-11-22-20-17(12-23-27(19)20)21(28)24-14(2)16-8-6-5-7-9-16/h5-14H,4H2,1-3H3,(H,24,28).
What are the key properties of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).