3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H22N6O2 — CID 46955822

IUPAC3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)[nH]n2c(=O)cc(C3CCN(C(=O)c4cnn(C)c4)C3)nc12
InChIInChI=1S/C18H22N6O2/c1-4-14-11(2)21-24-16(25)7-15(20-17(14)24)12-5-6-23(10-12)18(26)13-8-19-22(3)9-13/h7-9,12,21H,4-6,10H2,1-3H3
InChIKeyMMKSYMKCRHXDPR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.26
Rot. Bonds3

About 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46955822) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46955822
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)[nH]n2c(=O)cc(C3CCN(C(=O)c4cnn(C)c4)C3)nc12
InChIInChI=1S/C18H22N6O2/c1-4-14-11(2)21-24-16(25)7-15(20-17(14)24)12-5-6-23(10-12)18(26)13-8-19-22(3)9-13/h7-9,12,21H,4-6,10H2,1-3H3
InChIKeyMMKSYMKCRHXDPR-UHFFFAOYSA-N
XLogP1.26
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46955822) is 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)[nH]n2c(=O)cc(C3CCN(C(=O)c4cnn(C)c4)C3)nc12.
What is the InChIKey of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MMKSYMKCRHXDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-14-11(2)21-24-16(25)7-15(20-17(14)24)12-5-6-23(10-12)18(26)13-8-19-22(3)9-13/h7-9,12,21H,4-6,10H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.41 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46955822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).