4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide

C14H19BrN6O2 — CID 4777173

IUPAC4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc(Br)c(C)n2)c(C(=O)NC)n1
InChIInChI=1S/C14H19BrN6O2/c1-4-20-8-11(13(19-20)14(23)16-3)17-12(22)5-6-21-7-10(15)9(2)18-21/h7-8H,4-6H2,1-3H3,(H,16,23)(H,17,22)
InChIKeyWZMCQXJILPTTRG-UHFFFAOYSA-N
MW383.25 g/mol
LogP1.56
Rot. Bonds6

About 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide

4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 4777173) has the molecular formula C14H19BrN6O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID4777173
Molecular FormulaC14H19BrN6O2
Molecular Weight383.25 g/mol
Exact Mass382.08
IUPAC Name4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc(Br)c(C)n2)c(C(=O)NC)n1
InChIInChI=1S/C14H19BrN6O2/c1-4-20-8-11(13(19-20)14(23)16-3)17-12(22)5-6-21-7-10(15)9(2)18-21/h7-8H,4-6H2,1-3H3,(H,16,23)(H,17,22)
InChIKeyWZMCQXJILPTTRG-UHFFFAOYSA-N
XLogP1.56
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
propan-2-yl 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxylate
CID 19404429
4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398392
1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19555657
1-ethyl-N-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19566036
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 19584398
N-[1-ethyl-3-(methylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281731
4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19567901
N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19559794
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 4777173) is 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)CCn2cc(Br)c(C)n2)c(C(=O)NC)n1.
What is the InChIKey of 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is WZMCQXJILPTTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6O2/c1-4-20-8-11(13(19-20)14(23)16-3)17-12(22)5-6-21-7-10(15)9(2)18-21/h7-8H,4-6H2,1-3H3,(H,16,23)(H,17,22).
What are the key properties of 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4777173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).