4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

C14H15BrN8O2 — CID 19271796

IUPAC4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(Cn3cc(Br)cn3)n2)c(C(N)=O)n1
InChIInChI=1S/C14H15BrN8O2/c1-2-21-7-11(12(20-21)13(16)24)18-14(25)10-3-4-22(19-10)8-23-6-9(15)5-17-23/h3-7H,2,8H2,1H3,(H2,16,24)(H,18,25)
InChIKeyDZCGTUZOUYFCAP-UHFFFAOYSA-N
MW407.23 g/mol
LogP0.92
Rot. Bonds6

About 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19271796) has the molecular formula C14H15BrN8O2 and a molecular weight of 407.23 g/mol. Its IUPAC name is 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19271796
Molecular FormulaC14H15BrN8O2
Molecular Weight407.23 g/mol
Exact Mass406.05
IUPAC Name4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(Cn3cc(Br)cn3)n2)c(C(N)=O)n1
InChIInChI=1S/C14H15BrN8O2/c1-2-21-7-11(12(20-21)13(16)24)18-14(25)10-3-4-22(19-10)8-23-6-9(15)5-17-23/h3-7H,2,8H2,1H3,(H2,16,24)(H,18,25)
InChIKeyDZCGTUZOUYFCAP-UHFFFAOYSA-N
XLogP0.92
TPSA125.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19271889
1-[(4-bromopyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19271850
1-[(4-bromopyrazol-1-yl)methyl]-N-ethylpyrazole-3-carboxamide
CID 19271904
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19271635
1-[(4-bromopyrazol-1-yl)methyl]-N-phenylpyrazole-3-carboxamide
CID 19271719
1-[(4-bromopyrazol-1-yl)methyl]-N-butan-2-ylpyrazole-3-carboxamide
CID 19271750
1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273181
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19271760
ethyl 2-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19271701
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19271709
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19271789
1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (CID 19271796) is 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccn(Cn3cc(Br)cn3)n2)c(C(N)=O)n1.
What is the InChIKey of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is DZCGTUZOUYFCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN8O2/c1-2-21-7-11(12(20-21)13(16)24)18-14(25)10-3-4-22(19-10)8-23-6-9(15)5-17-23/h3-7H,2,8H2,1H3,(H2,16,24)(H,18,25).
What are the key properties of 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 407.23 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19271796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).