5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide

C17H17N5O — CID 46948876

IUPAC5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N5O/c18-15-14(17(23)20-13-9-5-2-6-10-13)16(22-21-15)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,20,23)(H4,18,19,21,22)
InChIKeyRJUXZGRLYYJWFJ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.86
Rot. Bonds5

About 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide

5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 46948876) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide
PubChem CID46948876
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H17N5O/c18-15-14(17(23)20-13-9-5-2-6-10-13)16(22-21-15)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,20,23)(H4,18,19,21,22)
InChIKeyRJUXZGRLYYJWFJ-UHFFFAOYSA-N
XLogP2.86
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide (CID 46948876) is 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide is Nc1[nH]nc(NCc2ccccc2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is RJUXZGRLYYJWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-15-14(17(23)20-13-9-5-2-6-10-13)16(22-21-15)19-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,20,23)(H4,18,19,21,22).
What are the key properties of 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide?
5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(benzylamino)-N-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46948876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).