methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate

C17H18BrN5O4 — CID 3418415

IUPACmethyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCCn1nc(C)c(Br)c1C(=O)Nc1cnn(Cc2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C17H18BrN5O4/c1-4-23-15(14(18)10(2)21-23)16(24)20-11-7-19-22(8-11)9-12-5-6-13(27-12)17(25)26-3/h5-8H,4,9H2,1-3H3,(H,20,24)
InChIKeySCNFSJZCUQBRBU-UHFFFAOYSA-N
MW436.27 g/mol
LogP2.85
Rot. Bonds6

About methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate (PubChem CID 3418415) has the molecular formula C17H18BrN5O4 and a molecular weight of 436.27 g/mol. Its IUPAC name is methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
PubChem CID3418415
Molecular FormulaC17H18BrN5O4
Molecular Weight436.27 g/mol
Exact Mass435.05
IUPAC Namemethyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
SMILESCCn1nc(C)c(Br)c1C(=O)Nc1cnn(Cc2ccc(C(=O)OC)o2)c1
InChIInChI=1S/C17H18BrN5O4/c1-4-23-15(14(18)10(2)21-23)16(24)20-11-7-19-22(8-11)9-12-5-6-13(27-12)17(25)26-3/h5-8H,4,9H2,1-3H3,(H,20,24)
InChIKeySCNFSJZCUQBRBU-UHFFFAOYSA-N
XLogP2.85
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-[(5-methyl-2-phenyltriazole-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418419
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
methyl 5-[[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3762041
methyl 5-[[4-[(2-chloro-3,4-dimethoxybenzoyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3422017
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744472
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19456576
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414278
methyl 5-[[4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418416
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 35529894
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19454866
methyl 5-[[(1-ethylpyrazol-4-yl)amino]methyl]furan-2-carboxylate
CID 43777055
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480548

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate (CID 3418415) is methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate is CCn1nc(C)c(Br)c1C(=O)Nc1cnn(Cc2ccc(C(=O)OC)o2)c1.
What is the InChIKey of methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
The InChIKey is SCNFSJZCUQBRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O4/c1-4-23-15(14(18)10(2)21-23)16(24)20-11-7-19-22(8-11)9-12-5-6-13(27-12)17(25)26-3/h5-8H,4,9H2,1-3H3,(H,20,24).
What are the key properties of methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate has a molecular weight of 436.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 3418415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).