methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate

C18H24N6O3 — CID 72907906

IUPACmethyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CN1CCn2nc(CCC(=O)NC3CC3)cc2C1
InChIInChI=1S/C18H24N6O3/c1-27-18(26)17-12(9-19-21-17)10-23-6-7-24-15(11-23)8-14(22-24)4-5-16(25)20-13-2-3-13/h8-9,13H,2-7,10-11H2,1H3,(H,19,21)(H,20,25)
InChIKeyGUAIBESWDSMXIA-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.62
Rot. Bonds7

About methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate

methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate (PubChem CID 72907906) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate
PubChem CID72907906
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Namemethyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CN1CCn2nc(CCC(=O)NC3CC3)cc2C1
InChIInChI=1S/C18H24N6O3/c1-27-18(26)17-12(9-19-21-17)10-23-6-7-24-15(11-23)8-14(22-24)4-5-16(25)20-13-2-3-13/h8-9,13H,2-7,10-11H2,1H3,(H,19,21)(H,20,25)
InChIKeyGUAIBESWDSMXIA-UHFFFAOYSA-N
XLogP0.62
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate (CID 72907906) is methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1CN1CCn2nc(CCC(=O)NC3CC3)cc2C1.
What is the InChIKey of methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate?
The InChIKey is GUAIBESWDSMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-27-18(26)17-12(9-19-21-17)10-23-6-7-24-15(11-23)8-14(22-24)4-5-16(25)20-13-2-3-13/h8-9,13H,2-7,10-11H2,1H3,(H,19,21)(H,20,25).
What are the key properties of methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate?
methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 72907906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).