N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C21H24N4O3 — CID 55861896

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C21H24N4O3/c26-19(10-11-25-20(27)16-8-4-5-9-17(16)21(25)28)22-18-13-15(23-24-18)12-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H2,22,23,24,26)
InChIKeyOGOJHESGVXVQCH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.16
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 55861896) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID55861896
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C21H24N4O3/c26-19(10-11-25-20(27)16-8-4-5-9-17(16)21(25)28)22-18-13-15(23-24-18)12-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H2,22,23,24,26)
InChIKeyOGOJHESGVXVQCH-UHFFFAOYSA-N
XLogP3.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]propanamide
CID 60524840
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide
CID 122147713
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide
CID 56552898
N-[4-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 56553027
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55863677
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 127277358
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 121120501
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 56552927
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 75477436

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 55861896) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is OGOJHESGVXVQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19(10-11-25-20(27)16-8-4-5-9-17(16)21(25)28)22-18-13-15(23-24-18)12-14-6-2-1-3-7-14/h4-5,8-9,13-14H,1-3,6-7,10-12H2,(H2,22,23,24,26).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 380.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 55861896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).