cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C18H23N3O3 — CID 91641460

IUPACcycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESNC(=O)C1CC(C(=O)OC2CCCCCC2)=NN1c1ccccc1
InChIInChI=1S/C18H23N3O3/c19-17(22)16-12-15(20-21(16)13-8-4-3-5-9-13)18(23)24-14-10-6-1-2-7-11-14/h3-5,8-9,14,16H,1-2,6-7,10-12H2,(H2,19,22)
InChIKeySQEFTPRBNLHEQH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.37
Rot. Bonds4

About cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 91641460) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Namecycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID91641460
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namecycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESNC(=O)C1CC(C(=O)OC2CCCCCC2)=NN1c1ccccc1
InChIInChI=1S/C18H23N3O3/c19-17(22)16-12-15(20-21(16)13-8-4-3-5-9-13)18(23)24-14-10-6-1-2-7-11-14/h3-5,8-9,14,16H,1-2,6-7,10-12H2,(H2,19,22)
InChIKeySQEFTPRBNLHEQH-UHFFFAOYSA-N
XLogP2.37
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 55561698
cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 95761896
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
[(S)-cyano(cyclohexyl)methyl] (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 99781150
(4-methoxycyclohexyl) (3R)-3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 99622317
(4-methoxycyclohexyl) 3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 102559561
prop-2-enyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 94026024
[(E)-but-2-enyl] 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56807951
[(Z)-but-2-enyl] (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 96538553
(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 51934177
(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 51934163
(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 32935230

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 91641460) is cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is NC(=O)C1CC(C(=O)OC2CCCCCC2)=NN1c1ccccc1.
What is the InChIKey of cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is SQEFTPRBNLHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c19-17(22)16-12-15(20-21(16)13-8-4-3-5-9-13)18(23)24-14-10-6-1-2-7-11-14/h3-5,8-9,14,16H,1-2,6-7,10-12H2,(H2,19,22).
What are the key properties of cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 91641460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).