methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C17H23N5O3 — CID 50981175

IUPACmethyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)CCn1nc(C)c(C)c1C)C2
InChIInChI=1S/C17H23N5O3/c1-11-12(2)18-21(13(11)3)6-5-16(23)20-7-8-22-14(10-20)9-15(19-22)17(24)25-4/h9H,5-8,10H2,1-4H3
InChIKeySAWUOYPSYRVRNB-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.22
Rot. Bonds4

About methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 50981175) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID50981175
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Namemethyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCN(C(=O)CCn1nc(C)c(C)c1C)C2
InChIInChI=1S/C17H23N5O3/c1-11-12(2)18-21(13(11)3)6-5-16(23)20-7-8-22-14(10-20)9-15(19-22)17(24)25-4/h9H,5-8,10H2,1-4H3
InChIKeySAWUOYPSYRVRNB-UHFFFAOYSA-N
XLogP1.22
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[3-(3-oxo-1,2-oxazol-5-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50975488
methyl 5-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50960366
methyl 5-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50972710
methyl 5-[(2R)-2-methylpentanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95123709
methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50957815
methyl 5-(3-pyridin-3-ylpropanoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50949120
methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50963781
N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 70714209
methyl 5-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 95135348
methyl 5-[(E)-4-phenylbut-3-enoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50977815
methyl 5-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50977050
methyl 5-(2-propyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50980331

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 50981175) is methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)CCN(C(=O)CCn1nc(C)c(C)c1C)C2.
What is the InChIKey of methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is SAWUOYPSYRVRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-12(2)18-21(13(11)3)6-5-16(23)20-7-8-22-14(10-20)9-15(19-22)17(24)25-4/h9H,5-8,10H2,1-4H3.
What are the key properties of methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 50981175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).