N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide

C11H13N3O — CID 142262030

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide
SMILESC=C/C(=C\C=C/C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N3O/c1-3-5-6-9(4-2)13-11(15)10-7-8-12-14-10/h3-8H,2H2,1H3,(H,12,14)(H,13,15)/b5-3-,9-6+
InChIKeyLZRIFXCTSBJSKS-PAEKIZANSA-N
MW203.24 g/mol
LogP1.79
Rot. Bonds4

About N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 142262030) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID142262030
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide
SMILESC=C/C(=C\C=C/C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H13N3O/c1-3-5-6-9(4-2)13-11(15)10-7-8-12-14-10/h3-8H,2H2,1H3,(H,12,14)(H,13,15)/b5-3-,9-6+
InChIKeyLZRIFXCTSBJSKS-PAEKIZANSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide (CID 142262030) is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide is C=C/C(=C\C=C/C)NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LZRIFXCTSBJSKS-PAEKIZANSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-5-6-9(4-2)13-11(15)10-7-8-12-14-10/h3-8H,2H2,1H3,(H,12,14)(H,13,15)/b5-3-,9-6+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142262030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).