N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide

C14H16ClN3O2 — CID 47352808

IUPACN-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCn2cccn2)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-2-20-13-5-4-11(10-12(13)15)17-14(19)6-9-18-8-3-7-16-18/h3-5,7-8,10H,2,6,9H2,1H3,(H,17,19)
InChIKeyXSGLRQRDGLVZGE-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.96
Rot. Bonds6

About N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide

N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 47352808) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID47352808
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)CCn2cccn2)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-2-20-13-5-4-11(10-12(13)15)17-14(19)6-9-18-8-3-7-16-18/h3-5,7-8,10H,2,6,9H2,1H3,(H,17,19)
InChIKeyXSGLRQRDGLVZGE-UHFFFAOYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335
N-(3-chloro-4-ethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 87046523
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
N-[4-(difluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
CID 47175480

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide (CID 47352808) is N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide is CCOc1ccc(NC(=O)CCn2cccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is XSGLRQRDGLVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-20-13-5-4-11(10-12(13)15)17-14(19)6-9-18-8-3-7-16-18/h3-5,7-8,10H,2,6,9H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide?
N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 293.75 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47352808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).