N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide

C16H17N3O — CID 110464293

IUPACN,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H17N3O/c1-3-9-19(10-4-2)16(20)14-7-5-13(6-8-14)15-11-17-18-12-15/h3-8,11-12H,1-2,9-10H2,(H,17,18)
InChIKeyIIDWRXRLIOGFSI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.89
Rot. Bonds6

About N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide

N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 110464293) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID110464293
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H17N3O/c1-3-9-19(10-4-2)16(20)14-7-5-13(6-8-14)15-11-17-18-12-15/h3-8,11-12H,1-2,9-10H2,(H,17,18)
InChIKeyIIDWRXRLIOGFSI-UHFFFAOYSA-N
XLogP2.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide (CID 110464293) is N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide is C=CCN(CC=C)C(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is IIDWRXRLIOGFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-9-19(10-4-2)16(20)14-7-5-13(6-8-14)15-11-17-18-12-15/h3-8,11-12H,1-2,9-10H2,(H,17,18).
What are the key properties of N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide?
N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110464293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).