N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C22H24N4O — CID 46963375

IUPACN-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NCCCN1Cc2ccccc2C1
InChIInChI=1S/C22H24N4O/c1-16-20(17-8-3-2-4-9-17)24-25-21(16)22(27)23-12-7-13-26-14-18-10-5-6-11-19(18)15-26/h2-6,8-11H,7,12-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyYGZQYJWFTILSMY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.52
Rot. Bonds6

About N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 46963375) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID46963375
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NCCCN1Cc2ccccc2C1
InChIInChI=1S/C22H24N4O/c1-16-20(17-8-3-2-4-9-17)24-25-21(16)22(27)23-12-7-13-26-14-18-10-5-6-11-19(18)15-26/h2-6,8-11H,7,12-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyYGZQYJWFTILSMY-UHFFFAOYSA-N
XLogP3.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46963658
N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 60606127
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024971
methyl 5-[(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoate
CID 60591032
N-(3-piperidin-1-ylpropyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954247
6-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288142
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6863444
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-methyl-1-benzofuran-5-carboxamide
CID 16673325
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288008
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945
N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
CID 141337062

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 46963375) is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCCN1Cc2ccccc2C1.
What is the InChIKey of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YGZQYJWFTILSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-20(17-8-3-2-4-9-17)24-25-21(16)22(27)23-12-7-13-26-14-18-10-5-6-11-19(18)15-26/h2-6,8-11H,7,12-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46963375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).