N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C16H14BrCl2N5O — CID 19513750

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C16H14BrCl2N5O/c1-2-24-15(10(17)7-21-24)8-20-16(25)14-6-13(22-23-14)9-3-4-11(18)12(19)5-9/h3-7H,2,8H2,1H3,(H,20,25)(H,22,23)
InChIKeyQPYOQKKXEKIWKA-UHFFFAOYSA-N
MW443.13 g/mol
LogP4.29
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513750) has the molecular formula C16H14BrCl2N5O and a molecular weight of 443.13 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19513750
Molecular FormulaC16H14BrCl2N5O
Molecular Weight443.13 g/mol
Exact Mass440.98
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C16H14BrCl2N5O/c1-2-24-15(10(17)7-21-24)8-20-16(25)14-6-13(22-23-14)9-3-4-11(18)12(19)5-9/h3-7H,2,8H2,1H3,(H,20,25)(H,22,23)
InChIKeyQPYOQKKXEKIWKA-UHFFFAOYSA-N
XLogP4.29
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.13
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19296886
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
CID 19322995
3-(3,4-dichlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19513619
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
CID 19323151
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508772
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
2-[4-[(4-bromo-1-ethylpyrazol-5-yl)methylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500739
3-(4-chlorophenyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509481
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide
CID 19274596
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19323020
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19323046

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19513750) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is CCn1ncc(Br)c1CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QPYOQKKXEKIWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2N5O/c1-2-24-15(10(17)7-21-24)8-20-16(25)14-6-13(22-23-14)9-3-4-11(18)12(19)5-9/h3-7H,2,8H2,1H3,(H,20,25)(H,22,23).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 443.13 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).