N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

C21H17Br2Cl2N5O2 — CID 19454854

IUPACN-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nn(Cc4ccc(Cl)cc4Cl)cc3Br)o2)c(C)c1Br
InChIInChI=1S/C21H17Br2Cl2N5O2/c1-11-19(23)12(2)30(27-11)9-15-5-6-18(32-15)21(31)26-20-16(22)10-29(28-20)8-13-3-4-14(24)7-17(13)25/h3-7,10H,8-9H2,1-2H3,(H,26,28,31)
InChIKeyWRFCYYPBBPFMDQ-UHFFFAOYSA-N
MW602.11 g/mol
LogP6.47
Rot. Bonds6

About N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 19454854) has the molecular formula C21H17Br2Cl2N5O2 and a molecular weight of 602.11 g/mol. Its IUPAC name is N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID19454854
Molecular FormulaC21H17Br2Cl2N5O2
Molecular Weight602.11 g/mol
Exact Mass598.91
IUPAC NameN-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nn(Cc4ccc(Cl)cc4Cl)cc3Br)o2)c(C)c1Br
InChIInChI=1S/C21H17Br2Cl2N5O2/c1-11-19(23)12(2)30(27-11)9-15-5-6-18(32-15)21(31)26-20-16(22)10-29(28-20)8-13-3-4-14(24)7-17(13)25/h3-7,10H,8-9H2,1-2H3,(H,26,28,31)
InChIKeyWRFCYYPBBPFMDQ-UHFFFAOYSA-N
XLogP6.47
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.11
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19454890
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454868
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19454866
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 19392758
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19413856
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,3-dichlorobenzamide
CID 19394434
5-[(2-bromophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19450231
4,5-dibromo-N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19508541
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533739
N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19287488
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19287109
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19396828

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 19454854) is N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)Nc3nn(Cc4ccc(Cl)cc4Cl)cc3Br)o2)c(C)c1Br.
What is the InChIKey of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is WRFCYYPBBPFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2Cl2N5O2/c1-11-19(23)12(2)30(27-11)9-15-5-6-18(32-15)21(31)26-20-16(22)10-29(28-20)8-13-3-4-14(24)7-17(13)25/h3-7,10H,8-9H2,1-2H3,(H,26,28,31).
What are the key properties of N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 602.11 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).