N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide

C17H16Cl3N5O — CID 19553968

IUPACN-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cnn1CCC(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-11-14(19)8-21-25(11)7-6-16(26)22-17-15(20)10-24(23-17)9-12-2-4-13(18)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H,22,23,26)
InChIKeySJFVWCBRXMFZDV-UHFFFAOYSA-N
MW412.71 g/mol
LogP4.43
Rot. Bonds6

About N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide

N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide (PubChem CID 19553968) has the molecular formula C17H16Cl3N5O and a molecular weight of 412.71 g/mol. Its IUPAC name is N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide
PubChem CID19553968
Molecular FormulaC17H16Cl3N5O
Molecular Weight412.71 g/mol
Exact Mass411.04
IUPAC NameN-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(Cl)cnn1CCC(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-11-14(19)8-21-25(11)7-6-16(26)22-17-15(20)10-24(23-17)9-12-2-4-13(18)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H,22,23,26)
InChIKeySJFVWCBRXMFZDV-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

3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19552264
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565700
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563668
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552103
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19347272
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525593
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569942
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524682
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568128
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569925
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19394634
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539586

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide (CID 19553968) is N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide is Cc1c(Cl)cnn1CCC(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide?
The InChIKey is SJFVWCBRXMFZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N5O/c1-11-14(19)8-21-25(11)7-6-16(26)22-17-15(20)10-24(23-17)9-12-2-4-13(18)5-3-12/h2-5,8,10H,6-7,9H2,1H3,(H,22,23,26).
What are the key properties of N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide?
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-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 N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19553968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).