N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide

C19H28N4O — CID 118796171

IUPACN-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC(CCN(C)C)c2ccccc2)c(C)n1
InChIInChI=1S/C19H28N4O/c1-5-12-23-14-17(15(2)21-23)19(24)20-18(11-13-22(3)4)16-9-7-6-8-10-16/h6-10,14,18H,5,11-13H2,1-4H3,(H,20,24)
InChIKeyZGXSAQJPSYHWFT-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.02
Rot. Bonds8

About N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide

N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 118796171) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID118796171
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NC(CCN(C)C)c2ccccc2)c(C)n1
InChIInChI=1S/C19H28N4O/c1-5-12-23-14-17(15(2)21-23)19(24)20-18(11-13-22(3)4)16-9-7-6-8-10-16/h6-10,14,18H,5,11-13H2,1-4H3,(H,20,24)
InChIKeyZGXSAQJPSYHWFT-UHFFFAOYSA-N
XLogP3.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 72875177
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974711
N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 125446316
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
(2S)-2-(3-chloro-4-fluorophenyl)-2-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
CID 97283830
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 118796171) is N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NC(CCN(C)C)c2ccccc2)c(C)n1.
What is the InChIKey of N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is ZGXSAQJPSYHWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-5-12-23-14-17(15(2)21-23)19(24)20-18(11-13-22(3)4)16-9-7-6-8-10-16/h6-10,14,18H,5,11-13H2,1-4H3,(H,20,24).
What are the key properties of N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide?
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 118796171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).