3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

C17H16Cl3N5O — CID 19339532

IUPAC3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCn2cc(Cl)cn2)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-11-7-16(22-17(26)5-6-24-9-12(18)8-21-24)23-25(11)10-13-14(19)3-2-4-15(13)20/h2-4,7-9H,5-6,10H2,1H3,(H,22,23,26)
InChIKeyJLEKVIZGPZRGGQ-UHFFFAOYSA-N
MW412.71 g/mol
LogP4.43
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide

3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 19339532) has the molecular formula C17H16Cl3N5O and a molecular weight of 412.71 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
PubChem CID19339532
Molecular FormulaC17H16Cl3N5O
Molecular Weight412.71 g/mol
Exact Mass411.04
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCn2cc(Cl)cn2)nn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-11-7-16(22-17(26)5-6-24-9-12(18)8-21-24)23-25(11)10-13-14(19)3-2-4-15(13)20/h2-4,7-9H,5-6,10H2,1H3,(H,22,23,26)
InChIKeyJLEKVIZGPZRGGQ-UHFFFAOYSA-N
XLogP4.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19493982
1-[3-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470831
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339660
3-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411510
3-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337226
1-[2-[[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502775
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19285438
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 19335401
2-[5-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482676
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (CID 19339532) is 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCn2cc(Cl)cn2)nn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is JLEKVIZGPZRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N5O/c1-11-7-16(22-17(26)5-6-24-9-12(18)8-21-24)23-25(11)10-13-14(19)3-2-4-15(13)20/h2-4,7-9H,5-6,10H2,1H3,(H,22,23,26).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 412.71 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 19339532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).