N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide

C24H28N4O — CID 72930030

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CC2(CNC(=O)CC(c3ccccc3)c3ccccn3)CC2)n1
InChIInChI=1S/C24H28N4O/c1-18-14-19(2)28(27-18)17-24(11-12-24)16-26-23(29)15-21(20-8-4-3-5-9-20)22-10-6-7-13-25-22/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H,26,29)
InChIKeyGHCAJLVOBMCDRM-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.01
Rot. Bonds8

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide (PubChem CID 72930030) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
PubChem CID72930030
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
SMILESCc1cc(C)n(CC2(CNC(=O)CC(c3ccccc3)c3ccccn3)CC2)n1
InChIInChI=1S/C24H28N4O/c1-18-14-19(2)28(27-18)17-24(11-12-24)16-26-23(29)15-21(20-8-4-3-5-9-20)22-10-6-7-13-25-22/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H,26,29)
InChIKeyGHCAJLVOBMCDRM-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
CID 154822775
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 77080131
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
CID 77081747
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 74241544
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362411
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
CID 131942164
(1S,3R,4R)-3-amino-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155939781
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74230830
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618588
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131897807
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 125023156
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide (CID 72930030) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide is Cc1cc(C)n(CC2(CNC(=O)CC(c3ccccc3)c3ccccn3)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
The InChIKey is GHCAJLVOBMCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-14-19(2)28(27-18)17-24(11-12-24)16-26-23(29)15-21(20-8-4-3-5-9-20)22-10-6-7-13-25-22/h3-10,13-14,21H,11-12,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide has a molecular weight of 388.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 72930030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).