N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide

C15H19N3O — CID 167263143

IUPACN,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide
SMILESCCC(c1ccccc1)n1nc(C(=O)NC)cc1C
InChIInChI=1S/C15H19N3O/c1-4-14(12-8-6-5-7-9-12)18-11(2)10-13(17-18)15(19)16-3/h5-10,14H,4H2,1-3H3,(H,16,19)
InChIKeyFTRJPANTUBQMMG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds4

About N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide

N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide (PubChem CID 167263143) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide
PubChem CID167263143
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide
SMILESCCC(c1ccccc1)n1nc(C(=O)NC)cc1C
InChIInChI=1S/C15H19N3O/c1-4-14(12-8-6-5-7-9-12)18-11(2)10-13(17-18)15(19)16-3/h5-10,14H,4H2,1-3H3,(H,16,19)
InChIKeyFTRJPANTUBQMMG-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide (CID 167263143) is N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide is CCC(c1ccccc1)n1nc(C(=O)NC)cc1C.
What is the InChIKey of N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide?
The InChIKey is FTRJPANTUBQMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-14(12-8-6-5-7-9-12)18-11(2)10-13(17-18)15(19)16-3/h5-10,14H,4H2,1-3H3,(H,16,19).
What are the key properties of N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide?
N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 167263143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).