3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide

C18H24N6O2 — CID 98075773

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide
SMILESCCn1cc(CCC(=O)N[C@H](C)c2cc(=O)n3[nH]c(C)cc3n2)c(C)n1
InChIInChI=1S/C18H24N6O2/c1-5-23-10-14(12(3)22-23)6-7-17(25)19-13(4)15-9-18(26)24-16(20-15)8-11(2)21-24/h8-10,13,21H,5-7H2,1-4H3,(H,19,25)/t13-/m1/s1
InChIKeyLVOPEIGKTPGPEP-CYBMUJFWSA-N
MW356.43 g/mol
LogP1.67
Rot. Bonds6

About 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide

3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide (PubChem CID 98075773) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide
PubChem CID98075773
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide
SMILESCCn1cc(CCC(=O)N[C@H](C)c2cc(=O)n3[nH]c(C)cc3n2)c(C)n1
InChIInChI=1S/C18H24N6O2/c1-5-23-10-14(12(3)22-23)6-7-17(25)19-13(4)15-9-18(26)24-16(20-15)8-11(2)21-24/h8-10,13,21H,5-7H2,1-4H3,(H,19,25)/t13-/m1/s1
InChIKeyLVOPEIGKTPGPEP-CYBMUJFWSA-N
XLogP1.67
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide (CID 98075773) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide is CCn1cc(CCC(=O)N[C@H](C)c2cc(=O)n3[nH]c(C)cc3n2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide?
The InChIKey is LVOPEIGKTPGPEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-5-23-10-14(12(3)22-23)6-7-17(25)19-13(4)15-9-18(26)24-16(20-15)8-11(2)21-24/h8-10,13,21H,5-7H2,1-4H3,(H,19,25)/t13-/m1/s1.
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1R)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide is sourced from PubChem (CID 98075773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).