4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide

C14H19BrN6O2 — CID 19551483

IUPAC4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCC(C(=O)Nc1cn(CC)nc1C(=O)NC)n1cc(Br)cn1
InChIInChI=1S/C14H19BrN6O2/c1-4-11(21-7-9(15)6-17-21)13(22)18-10-8-20(5-2)19-12(10)14(23)16-3/h6-8,11H,4-5H2,1-3H3,(H,16,23)(H,18,22)
InChIKeyOSXSGEIYZPKPSY-UHFFFAOYSA-N
MW383.25 g/mol
LogP1.81
Rot. Bonds6

About 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide

4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 19551483) has the molecular formula C14H19BrN6O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID19551483
Molecular FormulaC14H19BrN6O2
Molecular Weight383.25 g/mol
Exact Mass382.08
IUPAC Name4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCC(C(=O)Nc1cn(CC)nc1C(=O)NC)n1cc(Br)cn1
InChIInChI=1S/C14H19BrN6O2/c1-4-11(21-7-9(15)6-17-21)13(22)18-10-8-20(5-2)19-12(10)14(23)16-3/h6-8,11H,4-5H2,1-3H3,(H,16,23)(H,18,22)
InChIKeyOSXSGEIYZPKPSY-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-ethyl-4-[2-(4-nitropyrazol-1-yl)butanoylamino]pyrazole-3-carboxylate
CID 19551776
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
2-(4-bromopyrazol-1-yl)-N-cyclopropylbutanamide
CID 19549741
methyl 4-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19566285
1-ethyl-N-methyl-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-3-carboxamide
CID 19410718
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4777173
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
CID 19549718
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-2-methylphenyl]butanamide
CID 19551400
2-(4-bromopyrazol-1-yl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]butanamide
CID 19551425
2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 19551349
2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
CID 19549763
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 19551483) is 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide is CCC(C(=O)Nc1cn(CC)nc1C(=O)NC)n1cc(Br)cn1.
What is the InChIKey of 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is OSXSGEIYZPKPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6O2/c1-4-11(21-7-9(15)6-17-21)13(22)18-10-8-20(5-2)19-12(10)14(23)16-3/h6-8,11H,4-5H2,1-3H3,(H,16,23)(H,18,22).
What are the key properties of 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19551483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).