N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide

C22H21N5O — CID 2999655

IUPACN-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H21N5O/c28-22(24-12-7-14-26-15-13-23-17-26)20-16-27(19-10-5-2-6-11-19)25-21(20)18-8-3-1-4-9-18/h1-6,8-11,13,15-17H,7,12,14H2,(H,24,28)
InChIKeyJCSDQLVBFJOICL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.56
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 2999655) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID2999655
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H21N5O/c28-22(24-12-7-14-26-15-13-23-17-26)20-16-27(19-10-5-2-6-11-19)25-21(20)18-8-3-1-4-9-18/h1-6,8-11,13,15-17H,7,12,14H2,(H,24,28)
InChIKeyJCSDQLVBFJOICL-UHFFFAOYSA-N
XLogP3.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide (CID 2999655) is N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide is O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is JCSDQLVBFJOICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(24-12-7-14-26-15-13-23-17-26)20-16-27(19-10-5-2-6-11-19)25-21(20)18-8-3-1-4-9-18/h1-6,8-11,13,15-17H,7,12,14H2,(H,24,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 2999655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).