3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C14H15Cl2N3O2 — CID 61021525

IUPAC3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)CCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O2/c1-9-10(8-18-19-9)7-17-14(20)4-5-21-11-2-3-12(15)13(16)6-11/h2-3,6,8H,4-5,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyKRRBRZZMKAHDMA-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.11
Rot. Bonds6

About 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 61021525) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID61021525
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)CCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O2/c1-9-10(8-18-19-9)7-17-14(20)4-5-21-11-2-3-12(15)13(16)6-11/h2-3,6,8H,4-5,7H2,1H3,(H,17,20)(H,18,19)
InChIKeyKRRBRZZMKAHDMA-UHFFFAOYSA-N
XLogP3.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55609644
3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109633
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide
CID 63877198
(2S)-3-[3-(3,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107832849
4-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81064443
3-(3,4-dichlorophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 38700799
3-(3,4-dichlorophenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55933060
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
N-[(2,4-dichlorophenyl)methyl]-3-(3-methylphenoxy)propanamide
CID 2446420
3-(3,4-dichlorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107846232
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 61021525) is 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)CCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is KRRBRZZMKAHDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-9-10(8-18-19-9)7-17-14(20)4-5-21-11-2-3-12(15)13(16)6-11/h2-3,6,8H,4-5,7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 328.20 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 61021525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).