1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide

C20H26ClN3O — CID 55469052

IUPAC1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C20H26ClN3O/c1-15-18(20(25)23(2)17-12-8-3-4-9-13-17)19(21)24(22-15)14-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
InChIKeyCYZLBTRANCUUJI-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.69
Rot. Bonds4

About 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 55469052) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
PubChem CID55469052
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C20H26ClN3O/c1-15-18(20(25)23(2)17-12-8-3-4-9-13-17)19(21)24(22-15)14-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
InChIKeyCYZLBTRANCUUJI-UHFFFAOYSA-N
XLogP4.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
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CID 52713102
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2616863
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
5-chloro-N-(1,1-dioxothiolan-3-yl)-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18268559
1-benzyl-N-[2-(benzylamino)-2-oxoethyl]-5-chloro-N,3-dimethylpyrazole-4-carboxamide
CID 154861363
(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 95900961
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
1-benzyl-5-chloro-N-[(4-cyanophenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 39858414
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 134028333
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7557482

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide (CID 55469052) is 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)C1CCCCCC1.
What is the InChIKey of 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is CYZLBTRANCUUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-15-18(20(25)23(2)17-12-8-3-4-9-13-17)19(21)24(22-15)14-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 359.90 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55469052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).