4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene

C13H22N4O2 — CID 142994993

IUPAC4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.CC(=O)Nc1cn[nH]c1C(N)=O
InChIInChI=1S/C6H8N4O2.C4H8.C3H6/c1-3(11)9-4-2-8-10-5(4)6(7)12;1-3-4-2;1-3-2/h2H,1H3,(H2,7,12)(H,8,10)(H,9,11);3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyVETVNGRGOWXTRU-LWFKIUJUSA-N
MW266.35 g/mol
LogP2.24
Rot. Bonds2

About 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene

4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene (PubChem CID 142994993) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene.

Molecular Properties

Compound Name4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene
PubChem CID142994993
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC Name4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene
SMILESC/C=C\C.C=CC.CC(=O)Nc1cn[nH]c1C(N)=O
InChIInChI=1S/C6H8N4O2.C4H8.C3H6/c1-3(11)9-4-2-8-10-5(4)6(7)12;1-3-4-2;1-3-2/h2H,1H3,(H2,7,12)(H,8,10)(H,9,11);3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyVETVNGRGOWXTRU-LWFKIUJUSA-N
XLogP2.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
The IUPAC name of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene (CID 142994993) is 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene.
What is the SMILES notation for 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
The canonical SMILES for 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene is C/C=C\C.C=CC.CC(=O)Nc1cn[nH]c1C(N)=O.
What is the InChIKey of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
The InChIKey is VETVNGRGOWXTRU-LWFKIUJUSA-N. The full InChI is InChI=1S/C6H8N4O2.C4H8.C3H6/c1-3(11)9-4-2-8-10-5(4)6(7)12;1-3-4-2;1-3-2/h2H,1H3,(H2,7,12)(H,8,10)(H,9,11);3-4H,1-2H3;3H,1H2,2H3/b;4-3-;.
What are the key properties of 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene?
4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene has a molecular weight of 266.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-1H-pyrazole-5-carboxamide;(Z)-but-2-ene;prop-1-ene is sourced from PubChem (CID 142994993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).