N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide

C24H27ClN4O2 — CID 22954116

IUPACN-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-31-15-21(30)27-20-4-2-3-17(7-10-20)23-22(16-11-13-26-14-12-16)24(29-28-23)18-5-8-19(25)9-6-18/h5-6,8-9,11-14,17,20H,2-4,7,10,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyPXZMYARWTTZJGF-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.97
Rot. Bonds6

About N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide

N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide (PubChem CID 22954116) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide
PubChem CID22954116
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-31-15-21(30)27-20-4-2-3-17(7-10-20)23-22(16-11-13-26-14-12-16)24(29-28-23)18-5-8-19(25)9-6-18/h5-6,8-9,11-14,17,20H,2-4,7,10,15H2,1H3,(H,27,30)(H,28,29)
InChIKeyPXZMYARWTTZJGF-UHFFFAOYSA-N
XLogP4.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;hydrochloride
CID 70209192
4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one
CID 22953866
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 91213482
2-(4-chlorophenoxy)-N-[5-cyclopropyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42687695
4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 46884779
cis-(1S,4R)-4-[3-(3-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptan-1-amine
CID 90714150
(E)-but-2-enedioic acid;4-[3-(4-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrimidine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexyl]-N,N-dimethylmethanamine;1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol;methane
CID 160938474
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 10024629
[2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] dihydrogen phosphate
CID 10322807
[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol
CID 10388404
(NE)-N-[1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethylidene]hydroxylamine
CID 59038080

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide (CID 22954116) is N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide is COCC(=O)NC1CCCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide?
The InChIKey is PXZMYARWTTZJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-31-15-21(30)27-20-4-2-3-17(7-10-20)23-22(16-11-13-26-14-12-16)24(29-28-23)18-5-8-19(25)9-6-18/h5-6,8-9,11-14,17,20H,2-4,7,10,15H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide?
N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide has a molecular weight of 438.96 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cycloheptyl]-2-methoxyacetamide is sourced from PubChem (CID 22954116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).