N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

C15H18ClN3O2 — CID 8721994

IUPACN-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C15H18ClN3O2/c1-10-8-11(2)19(18-10)7-6-15(20)17-13-9-12(16)4-5-14(13)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyBPVLKHQJBPPNJX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.19
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 8721994) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID8721994
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C15H18ClN3O2/c1-10-8-11(2)19(18-10)7-6-15(20)17-13-9-12(16)4-5-14(13)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyBPVLKHQJBPPNJX-UHFFFAOYSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 8721994) is N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is COc1ccc(Cl)cc1NC(=O)CCn1nc(C)cc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is BPVLKHQJBPPNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-8-11(2)19(18-10)7-6-15(20)17-13-9-12(16)4-5-14(13)21-3/h4-5,8-9H,6-7H2,1-3H3,(H,17,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 8721994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).