N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

C30H30N4O3 — CID 60535467

IUPACN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCc3ccc(OCC(=O)NC4CC4)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C30H30N4O3/c1-21-7-13-25(14-8-21)34-19-27(29(33-34)23-5-3-2-4-6-23)30(36)31-18-17-22-9-15-26(16-10-22)37-20-28(35)32-24-11-12-24/h2-10,13-16,19,24H,11-12,17-18,20H2,1H3,(H,31,36)(H,32,35)
InChIKeyCJZFOGJMQIJJLQ-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.48
Rot. Bonds10

About N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 60535467) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID60535467
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCc3ccc(OCC(=O)NC4CC4)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C30H30N4O3/c1-21-7-13-25(14-8-21)34-19-27(29(33-34)23-5-3-2-4-6-23)30(36)31-18-17-22-9-15-26(16-10-22)37-20-28(35)32-24-11-12-24/h2-10,13-16,19,24H,11-12,17-18,20H2,1H3,(H,31,36)(H,32,35)
InChIKeyCJZFOGJMQIJJLQ-UHFFFAOYSA-N
XLogP4.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-phenylquinoline-4-carboxamide
CID 52703335
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
[2-(cyclopropylamino)-2-oxoethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 41475897
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 7726962
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 46698646
N-cyclopropyl-2-[4-[2-[[N'-methyl-N-[2-(4-methylphenoxy)ethyl]carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111276827
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
CID 32541952

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (CID 60535467) is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCc3ccc(OCC(=O)NC4CC4)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is CJZFOGJMQIJJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-21-7-13-25(14-8-21)34-19-27(29(33-34)23-5-3-2-4-6-23)30(36)31-18-17-22-9-15-26(16-10-22)37-20-28(35)32-24-11-12-24/h2-10,13-16,19,24H,11-12,17-18,20H2,1H3,(H,31,36)(H,32,35).
What are the key properties of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60535467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).