N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide

C24H28N4O2 — CID 56538169

IUPACN'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-3-16-25-22(29)14-15-23(30)27(2)17-20-18-28(21-12-8-5-9-13-21)26-24(20)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3,(H,25,29)
InChIKeyZXKRVWCDRIBHDO-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.80
Rot. Bonds9

About N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide

N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide (PubChem CID 56538169) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide.

Molecular Properties

Compound NameN'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
PubChem CID56538169
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
SMILESCCCNC(=O)CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-3-16-25-22(29)14-15-23(30)27(2)17-20-18-28(21-12-8-5-9-13-21)26-24(20)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3,(H,25,29)
InChIKeyZXKRVWCDRIBHDO-UHFFFAOYSA-N
XLogP3.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119688729
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31333794
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 135840288
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-2-oxoethyl]benzamide
CID 24547321
N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 52669106

Frequently Asked Questions

What is the IUPAC name of N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide?
The IUPAC name of N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide (CID 56538169) is N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide.
What is the SMILES notation for N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide?
The canonical SMILES for N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide is CCCNC(=O)CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide?
The InChIKey is ZXKRVWCDRIBHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-16-25-22(29)14-15-23(30)27(2)17-20-18-28(21-12-8-5-9-13-21)26-24(20)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3,(H,25,29).
What are the key properties of N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide?
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide has a molecular weight of 404.51 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide is sourced from PubChem (CID 56538169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).