5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C12H16N4O2 — CID 134790046

IUPAC5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1CN(C(C)=O)CC2
InChIInChI=1S/C12H16N4O2/c1-3-4-13-12(18)10-7-14-16-6-5-15(9(2)17)8-11(10)16/h3,7H,1,4-6,8H2,2H3,(H,13,18)
InChIKeyLDYAESGGIZKTAC-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.16
Rot. Bonds3

About 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134790046) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID134790046
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC=CCNC(=O)c1cnn2c1CN(C(C)=O)CC2
InChIInChI=1S/C12H16N4O2/c1-3-4-13-12(18)10-7-14-16-6-5-15(9(2)17)8-11(10)16/h3,7H,1,4-6,8H2,2H3,(H,13,18)
InChIKeyLDYAESGGIZKTAC-UHFFFAOYSA-N
XLogP0.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Etipirol
CID 166751
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
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72879541
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 168272756
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-isopropyl-3-oxopiperazin-2-yl)-N-methylacetamide
CID 50968875
3-(aminomethyl)-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 138991240
1-ethyl-4,5-di(N-methylcarbamoyl)pyrazole
CID 193506
1-allyl-4,5-di(N-methylcarbamoyl)pyrazole
CID 3082188
3,3-dimethyl-4-(1-methyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 25843701

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 134790046) is 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is C=CCNC(=O)c1cnn2c1CN(C(C)=O)CC2.
What is the InChIKey of 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is LDYAESGGIZKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-4-13-12(18)10-7-14-16-6-5-15(9(2)17)8-11(10)16/h3,7H,1,4-6,8H2,2H3,(H,13,18).
What are the key properties of 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-prop-2-enyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134790046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).