N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

C18H26N4O — CID 91641257

IUPACN-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C18H26N4O/c1-14(2)16-13-17(18(23)19-11-8-12-21(3)4)22(20-16)15-9-6-5-7-10-15/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,19,23)
InChIKeyARARNKSDOARTOG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.68
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide

N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 91641257) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID91641257
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN(C)C)n(-c2ccccc2)n1
InChIInChI=1S/C18H26N4O/c1-14(2)16-13-17(18(23)19-11-8-12-21(3)4)22(20-16)15-9-6-5-7-10-15/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,19,23)
InChIKeyARARNKSDOARTOG-UHFFFAOYSA-N
XLogP2.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285
N-[3-(dimethylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389156
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
5-methyl-2-phenyl-N-(3-phenylpropyl)pyrazole-3-carboxamide
CID 20861279
N-[3-[benzyl(butyl)amino]propyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861310
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
N-[3-(dimethylamino)propyl]-5-(3-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 17052442
1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 52898817
3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
CID 122093816
N-(3-ethoxypropyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 5309119
3-(furan-2-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-phenylpyrazole-5-carboxamide
CID 55720293
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide (CID 91641257) is N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCCCN(C)C)n(-c2ccccc2)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is ARARNKSDOARTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)16-13-17(18(23)19-11-8-12-21(3)4)22(20-16)15-9-6-5-7-10-15/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,19,23).
What are the key properties of N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-phenyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 91641257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).