3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide

C23H18ClN5O2 — CID 108802409

IUPAC3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide
SMILESCc1cc(-n2ncc(C#N)c2NC(=O)CCOc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H18ClN5O2/c1-15-12-21(27-19-8-4-2-6-17(15)19)29-23(16(13-25)14-26-29)28-22(30)10-11-31-20-9-5-3-7-18(20)24/h2-9,12,14H,10-11H2,1H3,(H,28,30)
InChIKeyKFRAYPRYOLDZGS-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.66
Rot. Bonds6

About 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide

3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide (PubChem CID 108802409) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide
PubChem CID108802409
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide
SMILESCc1cc(-n2ncc(C#N)c2NC(=O)CCOc2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C23H18ClN5O2/c1-15-12-21(27-19-8-4-2-6-17(15)19)29-23(16(13-25)14-26-29)28-22(30)10-11-31-20-9-5-3-7-18(20)24/h2-9,12,14H,10-11H2,1H3,(H,28,30)
InChIKeyKFRAYPRYOLDZGS-UHFFFAOYSA-N
XLogP4.66
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide
CID 108769540
2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747436
3-(4-chlorophenoxy)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108746786
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-3-(4-ethylphenoxy)propanamide
CID 108747339
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenoxy)butanamide
CID 108769476
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108747495
N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108769565
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
2-cyano-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108769426
4-(4-bromo-2-chlorophenoxy)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)butanamide
CID 108761007
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108769465
2-chloroethyl N-[4-cyano-1-(8-methoxy-4-methylquinolin-2-yl)pyrazol-5-yl]carbamate
CID 108747474

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide (CID 108802409) is 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide is Cc1cc(-n2ncc(C#N)c2NC(=O)CCOc2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide?
The InChIKey is KFRAYPRYOLDZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-15-12-21(27-19-8-4-2-6-17(15)19)29-23(16(13-25)14-26-29)28-22(30)10-11-31-20-9-5-3-7-18(20)24/h2-9,12,14H,10-11H2,1H3,(H,28,30).
What are the key properties of 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide?
3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 431.88 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 108802409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).