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

C13H14N4O2 — CID 171540405

IUPACN-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C13H14N4O2/c14-11(18)6-7-15-13(19)10-8-16-17-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,18)(H,15,19)(H,16,17)
InChIKeyYKAHXDMGYRPTEZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.68
Rot. Bonds5

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

N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 171540405) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID171540405
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESNC(=O)CCNC(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C13H14N4O2/c14-11(18)6-7-15-13(19)10-8-16-17-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,18)(H,15,19)(H,16,17)
InChIKeyYKAHXDMGYRPTEZ-UHFFFAOYSA-N
XLogP0.68
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 171540405) is N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide is NC(=O)CCNC(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is YKAHXDMGYRPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-11(18)6-7-15-13(19)10-8-16-17-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,18)(H,15,19)(H,16,17).
What are the key properties of N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 171540405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).