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

C12H16N4O3 — CID 134790634

IUPACmethyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)OC)CC2
InChIInChI=1S/C12H16N4O3/c1-3-4-13-11(17)9-7-14-16-6-5-15(8-10(9)16)12(18)19-2/h3,7H,1,4-6,8H2,2H3,(H,13,17)
InChIKeyJLDXNHQAEKMLKB-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.38
Rot. Bonds3

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

methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 134790634) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID134790634
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESC=CCNC(=O)c1cnn2c1CN(C(=O)OC)CC2
InChIInChI=1S/C12H16N4O3/c1-3-4-13-11(17)9-7-14-16-6-5-15(8-10(9)16)12(18)19-2/h3,7H,1,4-6,8H2,2H3,(H,13,17)
InChIKeyJLDXNHQAEKMLKB-UHFFFAOYSA-N
XLogP0.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrazole-3,4-dicarboxamide, 1-allyl-N,N'-dimethyl-
CID 202601
tert-butyl 3-formyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 72211567
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
3-(aminomethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 138991240
1-allyl-4,5-di(N-methylcarbamoyl)pyrazole
CID 3082188
Sdccgsbi-0663010.P001
CID 134787396
1-[3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 134787978
methyl 3-(methylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134788380
5-acetyl-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134789190
CID 134789952
CID 134789952
5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134790046
CID 134790872
CID 134790872

Frequently Asked Questions

What is the IUPAC name of methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 134790634) is methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is C=CCNC(=O)c1cnn2c1CN(C(=O)OC)CC2.
What is the InChIKey of methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is JLDXNHQAEKMLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-4-13-11(17)9-7-14-16-6-5-15(8-10(9)16)12(18)19-2/h3,7H,1,4-6,8H2,2H3,(H,13,17).
What are the key properties of methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 134790634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).