N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

C14H15Cl2N3O — CID 19339660

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C)n(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-3-14(20)17-13-7-9(2)19(18-13)8-10-11(15)5-4-6-12(10)16/h4-7H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyNRIQLRKRXNMZEQ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.90
Rot. Bonds4

About N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 19339660) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
PubChem CID19339660
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C)n(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-3-14(20)17-13-7-9(2)19(18-13)8-10-11(15)5-4-6-12(10)16/h4-7H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyNRIQLRKRXNMZEQ-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19339600
1-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methylthiourea
CID 19405441
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]cyclopropanecarboxamide
CID 19335415
2-[3-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19493982
3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339532
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383
1-[3-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470831
1-cyclohexyl-3-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]urea
CID 19407554
2-[5-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482676
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 19335401
(E)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 19339409
(E)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19339410

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (CID 19339660) is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is CCC(=O)Nc1cc(C)n(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is NRIQLRKRXNMZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-14(20)17-13-7-9(2)19(18-13)8-10-11(15)5-4-6-12(10)16/h4-7H,3,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 312.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 19339660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).